N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C23H22ClN3O5S2 — CID 5101960

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22ClN3O5S2/c24-21-8-1-2-9-22(21)26-33(29,30)20-7-5-6-18(16-20)25-23(28)17-10-12-19(13-11-17)34(31,32)27-14-3-4-15-27/h1-2,5-13,16,26H,3-4,14-15H2,(H,25,28)
InChIKeyRNUZAWDNSXEITB-UHFFFAOYSA-N
MW520.03 g/mol
LogP4.18
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 5101960) has the molecular formula C23H22ClN3O5S2 and a molecular weight of 520.03 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID5101960
Molecular FormulaC23H22ClN3O5S2
Molecular Weight520.03 g/mol
Exact Mass519.07
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22ClN3O5S2/c24-21-8-1-2-9-22(21)26-33(29,30)20-7-5-6-18(16-20)25-23(28)17-10-12-19(13-11-17)34(31,32)27-14-3-4-15-27/h1-2,5-13,16,26H,3-4,14-15H2,(H,25,28)
InChIKeyRNUZAWDNSXEITB-UHFFFAOYSA-N
XLogP4.18
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.03
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide 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

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4570058
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
4-[(4-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3291501
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 55986969
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 5101960) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RNUZAWDNSXEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S2/c24-21-8-1-2-9-22(21)26-33(29,30)20-7-5-6-18(16-20)25-23(28)17-10-12-19(13-11-17)34(31,32)27-14-3-4-15-27/h1-2,5-13,16,26H,3-4,14-15H2,(H,25,28).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 520.03 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 5101960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).