3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C17H16Cl2N2O4S — CID 17495368

IUPAC3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O
InChIInChI=1S/C17H16Cl2N2O4S/c1-25-16-9-11(4-7-15(16)21-8-2-3-17(21)22)20-26(23,24)12-5-6-13(18)14(19)10-12/h4-7,9-10,20H,2-3,8H2,1H3
InChIKeyRNGWTJZMHPKEGG-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.93
Rot. Bonds5

About 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 17495368) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID17495368
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O
InChIInChI=1S/C17H16Cl2N2O4S/c1-25-16-9-11(4-7-15(16)21-8-2-3-17(21)22)20-26(23,24)12-5-6-13(18)14(19)10-12/h4-7,9-10,20H,2-3,8H2,1H3
InChIKeyRNGWTJZMHPKEGG-UHFFFAOYSA-N
XLogP3.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7635888
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
2,5-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 17495366
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 107650806
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 17495368) is 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O.
What is the InChIKey of 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is RNGWTJZMHPKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c1-25-16-9-11(4-7-15(16)21-8-2-3-17(21)22)20-26(23,24)12-5-6-13(18)14(19)10-12/h4-7,9-10,20H,2-3,8H2,1H3.
What are the key properties of 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 415.30 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 17495368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).