4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide

C25H21ClN2O3S — CID 161346277

IUPAC4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C25H21ClN2O3S/c26-18-8-12-21(13-9-18)32(30,31)28-19-10-6-16(7-11-19)23-14-20(15-25(29)17-4-5-17)27-24-3-1-2-22(23)24/h1-2,6-14,17,28H,3-5,15H2
InChIKeyVNIJCILUDYEJAC-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.29
Rot. Bonds7

About 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide

4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide (PubChem CID 161346277) has the molecular formula C25H21ClN2O3S and a molecular weight of 464.97 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide
PubChem CID161346277
Molecular FormulaC25H21ClN2O3S
Molecular Weight464.97 g/mol
Exact Mass464.10
IUPAC Name4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C25H21ClN2O3S/c26-18-8-12-21(13-9-18)32(30,31)28-19-10-6-16(7-11-19)23-14-20(15-25(29)17-4-5-17)27-24-3-1-2-22(23)24/h1-2,6-14,17,28H,3-5,15H2
InChIKeyVNIJCILUDYEJAC-UHFFFAOYSA-N
XLogP5.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138563380
1-cyclopropyl-2-[4-[1-(3,4-difluorobenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-7H-cyclopenta[b]pyridin-2-yl]ethanone
CID 159694740
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714521
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560689
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide (CID 161346277) is 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide is O=C(Cc1cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c2c(n1)CC=C2)C1CC1.
What is the InChIKey of 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide?
The InChIKey is VNIJCILUDYEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3S/c26-18-8-12-21(13-9-18)32(30,31)28-19-10-6-16(7-11-19)23-14-20(15-25(29)17-4-5-17)27-24-3-1-2-22(23)24/h1-2,6-14,17,28H,3-5,15H2.
What are the key properties of 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide?
4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide has a molecular weight of 464.97 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 161346277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).