N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide

C11H14ClNO4S2 — CID 4301298

IUPACN-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCS(=O)(=O)N(c1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14ClNO4S2/c1-18(14,15)13(10-4-2-9(12)3-5-10)11-6-7-19(16,17)8-11/h2-5,11H,6-8H2,1H3
InChIKeyQSADFVGADVFAMF-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.29
Rot. Bonds3

About N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide

N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide (PubChem CID 4301298) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide
PubChem CID4301298
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCS(=O)(=O)N(c1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14ClNO4S2/c1-18(14,15)13(10-4-2-9(12)3-5-10)11-6-7-19(16,17)8-11/h2-5,11H,6-8H2,1H3
InChIKeyQSADFVGADVFAMF-UHFFFAOYSA-N
XLogP1.29
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide (CID 4301298) is N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide is CS(=O)(=O)N(c1ccc(Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
The InChIKey is QSADFVGADVFAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c1-18(14,15)13(10-4-2-9(12)3-5-10)11-6-7-19(16,17)8-11/h2-5,11H,6-8H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide has a molecular weight of 323.82 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)methanesulfonamide is sourced from PubChem (CID 4301298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).