4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C17H18N2O3S2 — CID 49187272

IUPAC4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-23-15-7-9-16(10-8-15)24(21,22)18-13-4-2-5-14(12-13)19-11-3-6-17(19)20/h2,4-5,7-10,12,18H,3,6,11H2,1H3
InChIKeyLMEWYNXCCPOMLP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.34
Rot. Bonds5

About 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 49187272) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID49187272
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-23-15-7-9-16(10-8-15)24(21,22)18-13-4-2-5-14(12-13)19-11-3-6-17(19)20/h2,4-5,7-10,12,18H,3,6,11H2,1H3
InChIKeyLMEWYNXCCPOMLP-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8841856
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
2,5-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 26268476
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46762833

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 49187272) is 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is LMEWYNXCCPOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-23-15-7-9-16(10-8-15)24(21,22)18-13-4-2-5-14(12-13)19-11-3-6-17(19)20/h2,4-5,7-10,12,18H,3,6,11H2,1H3.
What are the key properties of 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 49187272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).