N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide

C97H102F6N18O10S5 — CID 157173167

IUPACN-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C(C)C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C3CC3)cn2)c1.CCS(=O)(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c(-c2cn(C)cn2)c1.Cn1cnc(-c2cc(S(C)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1.Cn1cnc(-c2cc(S(N)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C22H25N3O2S.C21H23N3O2S.C21H25N3O2S.C17H15F3N4O2S.C16H14F3N5O2S/c1-3-28(26,27)17-11-12-21(19(13-17)22-14-25(2)15-23-22)24-20-10-6-8-16-7-4-5-9-18(16)20;1-2-27(25,26)18-10-11-20(22-13-16-6-4-3-5-7-16)19(12-18)21-14-24(15-23-21)17-8-9-17;1-4-27(25,26)18-10-11-20(22-13-17-8-6-5-7-9-17)19(12-18)21-14-24(15-23-21)16(2)3;1-24-9-15(22-10-24)13-8-12(27(2,25)26)3-4-14(13)23-16-7-11(5-6-21-16)17(18,19)20;1-24-8-14(22-9-24)12-7-11(27(20,25)26)2-3-13(12)23-15-6-10(4-5-21-15)16(17,18)19/h4-5,7,9,11-15,20,24H,3,6,8,10H2,1-2H3;3-7,10-12,14-15,17,22H,2,8-9,13H2,1H3;5-12,14-16,22H,4,13H2,1-3H3;3-10H,1-2H3,(H,21,23);2-9H,1H3,(H,21,23)(H2,20,25,26)/t20-;;;;/m1..../s1
InChIKeyANSAQOMWKGVROY-YFDXKITBSA-N
MW1954.32 g/mol
LogP19.74
Rot. Bonds27

About N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide

N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 157173167) has the molecular formula C97H102F6N18O10S5 and a molecular weight of 1954.32 g/mol. Its IUPAC name is N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
PubChem CID157173167
Molecular FormulaC97H102F6N18O10S5
Molecular Weight1954.32 g/mol
Exact Mass1952.65
IUPAC NameN-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C(C)C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C3CC3)cn2)c1.CCS(=O)(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c(-c2cn(C)cn2)c1.Cn1cnc(-c2cc(S(C)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1.Cn1cnc(-c2cc(S(N)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C22H25N3O2S.C21H23N3O2S.C21H25N3O2S.C17H15F3N4O2S.C16H14F3N5O2S/c1-3-28(26,27)17-11-12-21(19(13-17)22-14-25(2)15-23-22)24-20-10-6-8-16-7-4-5-9-18(16)20;1-2-27(25,26)18-10-11-20(22-13-16-6-4-3-5-7-16)19(12-18)21-14-24(15-23-21)17-8-9-17;1-4-27(25,26)18-10-11-20(22-13-17-8-6-5-7-9-17)19(12-18)21-14-24(15-23-21)16(2)3;1-24-9-15(22-10-24)13-8-12(27(2,25)26)3-4-14(13)23-16-7-11(5-6-21-16)17(18,19)20;1-24-8-14(22-9-24)12-7-11(27(20,25)26)2-3-13(12)23-15-6-10(4-5-21-15)16(17,18)19/h4-5,7,9,11-15,20,24H,3,6,8,10H2,1-2H3;3-7,10-12,14-15,17,22H,2,8-9,13H2,1H3;5-12,14-16,22H,4,13H2,1-3H3;3-10H,1-2H3,(H,21,23);2-9H,1H3,(H,21,23)(H2,20,25,26)/t20-;;;;/m1..../s1
InChIKeyANSAQOMWKGVROY-YFDXKITBSA-N
XLogP19.74
TPSA371.75 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001954.32
LogP ≤ 519.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (CID 157173167) is N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide is CCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C(C)C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2cn(C3CC3)cn2)c1.CCS(=O)(=O)c1ccc(N[C@@H]2CCCc3ccccc32)c(-c2cn(C)cn2)c1.Cn1cnc(-c2cc(S(C)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1.Cn1cnc(-c2cc(S(N)(=O)=O)ccc2Nc2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is ANSAQOMWKGVROY-YFDXKITBSA-N. The full InChI is InChI=1S/C22H25N3O2S.C21H23N3O2S.C21H25N3O2S.C17H15F3N4O2S.C16H14F3N5O2S/c1-3-28(26,27)17-11-12-21(19(13-17)22-14-25(2)15-23-22)24-20-10-6-8-16-7-4-5-9-18(16)20;1-2-27(25,26)18-10-11-20(22-13-16-6-4-3-5-7-16)19(12-18)21-14-24(15-23-21)17-8-9-17;1-4-27(25,26)18-10-11-20(22-13-17-8-6-5-7-9-17)19(12-18)21-14-24(15-23-21)16(2)3;1-24-9-15(22-10-24)13-8-12(27(2,25)26)3-4-14(13)23-16-7-11(5-6-21-16)17(18,19)20;1-24-8-14(22-9-24)12-7-11(27(20,25)26)2-3-13(12)23-15-6-10(4-5-21-15)16(17,18)19/h4-5,7,9,11-15,20,24H,3,6,8,10H2,1-2H3;3-7,10-12,14-15,17,22H,2,8-9,13H2,1H3;5-12,14-16,22H,4,13H2,1-3H3;3-10H,1-2H3,(H,21,23);2-9H,1H3,(H,21,23)(H2,20,25,26)/t20-;;;;/m1..../s1.
What are the key properties of N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 1954.32 g/mol, XLogP of 19.74, 27 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 157173167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).