(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H20ClN3O6S2 — CID 2095948

IUPAC(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O6S2/c1-13(24)22-30(26,27)16-10-6-15(7-11-16)21-19(25)18-3-2-12-23(18)31(28,29)17-8-4-14(20)5-9-17/h4-11,18H,2-3,12H2,1H3,(H,21,25)(H,22,24)/t18-/m1/s1
InChIKeyDOVYINBVTXESEY-GOSISDBHSA-N
MW485.97 g/mol
LogP1.96
Rot. Bonds6

About (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2095948) has the molecular formula C19H20ClN3O6S2 and a molecular weight of 485.97 g/mol. Its IUPAC name is (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2095948
Molecular FormulaC19H20ClN3O6S2
Molecular Weight485.97 g/mol
Exact Mass485.05
IUPAC Name(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O6S2/c1-13(24)22-30(26,27)16-10-6-15(7-11-16)21-19(25)18-3-2-12-23(18)31(28,29)17-8-4-14(20)5-9-17/h4-11,18H,2-3,12H2,1H3,(H,21,25)(H,22,24)/t18-/m1/s1
InChIKeyDOVYINBVTXESEY-GOSISDBHSA-N
XLogP1.96
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
1-(4-methylphenyl)sulfonyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55335881
ethyl 4-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidine-2-carbonyl]amino]benzoate
CID 92887700
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 41173473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 2095948) is (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DOVYINBVTXESEY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20ClN3O6S2/c1-13(24)22-30(26,27)16-10-6-15(7-11-16)21-19(25)18-3-2-12-23(18)31(28,29)17-8-4-14(20)5-9-17/h4-11,18H,2-3,12H2,1H3,(H,21,25)(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2095948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).