5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

C67H68F4N8O9S3 — CID 87089724

IUPAC5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2cn(C)cn2)ccc1F
InChIInChI=1S/C23H22F2N2O3S.C23H23FN2O3S.C21H23FN4O3S/c1-16(2)26-23(28)21-14-19(10-13-22(21)25)27(15-17-6-4-3-5-7-17)31(29,30)20-11-8-18(24)9-12-20;1-17(2)25-23(27)21-15-19(13-14-22(21)24)26(16-18-9-5-3-6-10-18)30(28,29)20-11-7-4-8-12-20;1-15(2)24-21(27)18-11-17(9-10-19(18)22)26(12-16-7-5-4-6-8-16)30(28,29)20-13-25(3)14-23-20/h3-14,16H,15H2,1-2H3,(H,26,28);3-15,17H,16H2,1-2H3,(H,25,27);4-11,13-15H,12H2,1-3H3,(H,24,27)
InChIKeyXHBXAUXMPUOEEA-UHFFFAOYSA-N
MW1301.52 g/mol
LogP11.95
Rot. Bonds21

About 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 87089724) has the molecular formula C67H68F4N8O9S3 and a molecular weight of 1301.52 g/mol. Its IUPAC name is 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
PubChem CID87089724
Molecular FormulaC67H68F4N8O9S3
Molecular Weight1301.52 g/mol
Exact Mass1300.42
IUPAC Name5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2cn(C)cn2)ccc1F
InChIInChI=1S/C23H22F2N2O3S.C23H23FN2O3S.C21H23FN4O3S/c1-16(2)26-23(28)21-14-19(10-13-22(21)25)27(15-17-6-4-3-5-7-17)31(29,30)20-11-8-18(24)9-12-20;1-17(2)25-23(27)21-15-19(13-14-22(21)24)26(16-18-9-5-3-6-10-18)30(28,29)20-11-7-4-8-12-20;1-15(2)24-21(27)18-11-17(9-10-19(18)22)26(12-16-7-5-4-6-8-16)30(28,29)20-13-25(3)14-23-20/h3-14,16H,15H2,1-2H3,(H,26,28);3-15,17H,16H2,1-2H3,(H,25,27);4-11,13-15H,12H2,1-3H3,(H,24,27)
InChIKeyXHBXAUXMPUOEEA-UHFFFAOYSA-N
XLogP11.95
TPSA217.26 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.52
LogP ≤ 511.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide with MolForge

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Related Compounds

5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182359
5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 87089654
N-benzyl-N-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 46181765
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132690327
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
tert-butyl 4-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-3-fluorobenzoate
CID 91554723
3-[(4-chlorophenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]-N-cyclobutylbenzamide
CID 66648351
3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 46182411
2-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132687345
(2S)-2-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100686896
N-benzyl-3-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]benzamide;3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 87354222
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
CID 46182506

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (CID 87089724) is 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1F.CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2cn(C)cn2)ccc1F.
What is the InChIKey of 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is XHBXAUXMPUOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S.C23H23FN2O3S.C21H23FN4O3S/c1-16(2)26-23(28)21-14-19(10-13-22(21)25)27(15-17-6-4-3-5-7-17)31(29,30)20-11-8-18(24)9-12-20;1-17(2)25-23(27)21-15-19(13-14-22(21)24)26(16-18-9-5-3-6-10-18)30(28,29)20-11-7-4-8-12-20;1-15(2)24-21(27)18-11-17(9-10-19(18)22)26(12-16-7-5-4-6-8-16)30(28,29)20-13-25(3)14-23-20/h3-14,16H,15H2,1-2H3,(H,26,28);3-15,17H,16H2,1-2H3,(H,25,27);4-11,13-15H,12H2,1-3H3,(H,24,27).
What are the key properties of 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 1301.52 g/mol, XLogP of 11.95, 21 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 87089724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).