2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide

C42H42Cl2F2N10O6S2 — CID 91274236

IUPAC2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1
InChIInChI=1S/2C21H21ClFN5O3S/c1-14-5-6-16(17(22)8-14)20(29)25-11-21(19-18(23)4-3-7-24-19)12-28(13-21)32(30,31)15-9-26-27(2)10-15;1-14-5-6-15(16(22)8-14)20(29)25-10-21(19-17(23)4-3-7-24-19)11-28(12-21)32(30,31)18-9-27(2)13-26-18/h3-10H,11-13H2,1-2H3,(H,25,29);3-9,13H,10-12H2,1-2H3,(H,25,29)
InChIKeyQQYFEORLVRBDNH-UHFFFAOYSA-N
MW955.90 g/mol
LogP4.58
Rot. Bonds12

About 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide

2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 91274236) has the molecular formula C42H42Cl2F2N10O6S2 and a molecular weight of 955.90 g/mol. Its IUPAC name is 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
PubChem CID91274236
Molecular FormulaC42H42Cl2F2N10O6S2
Molecular Weight955.90 g/mol
Exact Mass954.21
IUPAC Name2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1
InChIInChI=1S/2C21H21ClFN5O3S/c1-14-5-6-16(17(22)8-14)20(29)25-11-21(19-18(23)4-3-7-24-19)12-28(13-21)32(30,31)15-9-26-27(2)10-15;1-14-5-6-15(16(22)8-14)20(29)25-10-21(19-17(23)4-3-7-24-19)11-28(12-21)32(30,31)18-9-27(2)13-26-18/h3-10H,11-13H2,1-2H3,(H,25,29);3-9,13H,10-12H2,1-2H3,(H,25,29)
InChIKeyQQYFEORLVRBDNH-UHFFFAOYSA-N
XLogP4.58
TPSA194.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.90
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide 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

2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide
CID 59164258
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 59164269
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 59164273
2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 59164278
N-[3-chloro-4-[4-(1,1-dimethylpiperidin-1-ium-4-carbonyl)piperazine-1-carbonyl]phenyl]-5-[2,3-difluoro-4-[1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-3-methylpyrazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide
CID 168140065
5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(1-methylpyrazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 87354678
2-chloro-5-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide
CID 90762826
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
CID 91223876
2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-ethyltriazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-[(1-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methyltriazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2-methyltriazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 91462235
2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 91565953
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
CID 159076329
2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 159786702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide (CID 91274236) is 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is QQYFEORLVRBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21ClFN5O3S/c1-14-5-6-16(17(22)8-14)20(29)25-11-21(19-18(23)4-3-7-24-19)12-28(13-21)32(30,31)15-9-26-27(2)10-15;1-14-5-6-15(16(22)8-14)20(29)25-10-21(19-17(23)4-3-7-24-19)11-28(12-21)32(30,31)18-9-27(2)13-26-18/h3-10H,11-13H2,1-2H3,(H,25,29);3-9,13H,10-12H2,1-2H3,(H,25,29).
What are the key properties of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 955.90 g/mol, XLogP of 4.58, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 91274236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).