2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C18H20N2O5S — CID 7635928

IUPAC2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-15-8-9-16(25-2)17(12-15)26(22,23)19-13-5-3-6-14(11-13)20-10-4-7-18(20)21/h3,5-6,8-9,11-12,19H,4,7,10H2,1-2H3
InChIKeyLWYKOTWNJKBUSI-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.63
Rot. Bonds6

About 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7635928) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7635928
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-15-8-9-16(25-2)17(12-15)26(22,23)19-13-5-3-6-14(11-13)20-10-4-7-18(20)21/h3,5-6,8-9,11-12,19H,4,7,10H2,1-2H3
InChIKeyLWYKOTWNJKBUSI-UHFFFAOYSA-N
XLogP2.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
2,5-dimethoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635813
2,5-dimethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636218
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 7635928) is 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is LWYKOTWNJKBUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-15-8-9-16(25-2)17(12-15)26(22,23)19-13-5-3-6-14(11-13)20-10-4-7-18(20)21/h3,5-6,8-9,11-12,19H,4,7,10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7635928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).