2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide

C13H17ClN2O4S — CID 107650806

IUPAC2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCCl)ccc1N1CCCC1=O
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-9-10(15-21(18,19)8-6-14)4-5-11(12)16-7-2-3-13(16)17/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeySCWZWJFDQDNCDT-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.80
Rot. Bonds6

About 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide

2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 107650806) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
PubChem CID107650806
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCCl)ccc1N1CCCC1=O
InChIInChI=1S/C13H17ClN2O4S/c1-20-12-9-10(15-21(18,19)8-6-14)4-5-11(12)16-7-2-3-13(16)17/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeySCWZWJFDQDNCDT-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 17495368
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-yne-1-sulfonamide
CID 7636079
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
2,5-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 17495366
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7635888
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
CID 64992271
4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7635910
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 7636421
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
2,5-dimethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636218
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide (CID 107650806) is 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide is COc1cc(NS(=O)(=O)CCCl)ccc1N1CCCC1=O.
What is the InChIKey of 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is SCWZWJFDQDNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-12-9-10(15-21(18,19)8-6-14)4-5-11(12)16-7-2-3-13(16)17/h4-5,9,15H,2-3,6-8H2,1H3.
What are the key properties of 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 107650806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).