N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H17ClN2O4S — CID 8822420

IUPACN-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-24-16-9-4-12(18)11-15(16)19-25(22,23)14-7-5-13(6-8-14)20-10-2-3-17(20)21/h4-9,11,19H,2-3,10H2,1H3
InChIKeyRIIDUZTZWJNBAF-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.28
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 8822420) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID8822420
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-24-16-9-4-12(18)11-15(16)19-25(22,23)14-7-5-13(6-8-14)20-10-2-3-17(20)21/h4-9,11,19H,2-3,10H2,1H3
InChIKeyRIIDUZTZWJNBAF-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 8822420) is N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RIIDUZTZWJNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-24-16-9-4-12(18)11-15(16)19-25(22,23)14-7-5-13(6-8-14)20-10-2-3-17(20)21/h4-9,11,19H,2-3,10H2,1H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 8822420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).