2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide

C32H26Cl2N4O3S — CID 3270456

IUPAC2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C32H26Cl2N4O3S/c33-22-13-11-21(12-14-22)29-20-25(24-7-1-3-9-27(24)36-29)32(39)35-23-15-16-30(38-17-5-6-18-38)31(19-23)42(40,41)37-28-10-4-2-8-26(28)34/h1-4,7-16,19-20,37H,5-6,17-18H2,(H,35,39)
InChIKeyOXYFIRZNUSFDIT-UHFFFAOYSA-N
MW617.56 g/mol
LogP7.86
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide (PubChem CID 3270456) has the molecular formula C32H26Cl2N4O3S and a molecular weight of 617.56 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide
PubChem CID3270456
Molecular FormulaC32H26Cl2N4O3S
Molecular Weight617.56 g/mol
Exact Mass616.11
IUPAC Name2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C32H26Cl2N4O3S/c33-22-13-11-21(12-14-22)29-20-25(24-7-1-3-9-27(24)36-29)32(39)35-23-15-16-30(38-17-5-6-18-38)31(19-23)42(40,41)37-28-10-4-2-8-26(28)34/h1-4,7-16,19-20,37H,5-6,17-18H2,(H,35,39)
InChIKeyOXYFIRZNUSFDIT-UHFFFAOYSA-N
XLogP7.86
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.56
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
CID 25349683
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
CID 60610827

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide (CID 3270456) is 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide is O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide?
The InChIKey is OXYFIRZNUSFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N4O3S/c33-22-13-11-21(12-14-22)29-20-25(24-7-1-3-9-27(24)36-29)32(39)35-23-15-16-30(38-17-5-6-18-38)31(19-23)42(40,41)37-28-10-4-2-8-26(28)34/h1-4,7-16,19-20,37H,5-6,17-18H2,(H,35,39).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide has a molecular weight of 617.56 g/mol, XLogP of 7.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3270456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).