3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide

C13H11Cl2NO4S2 — CID 71590941

IUPAC3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO4S2/c1-16-22(19,20)11-4-2-3-9(7-11)21(17,18)10-5-6-12(14)13(15)8-10/h2-8,16H,1H3
InChIKeyAKRLGHCZRRORGI-UHFFFAOYSA-N
MW380.27 g/mol
LogP2.73
Rot. Bonds4

About 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide

3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide (PubChem CID 71590941) has the molecular formula C13H11Cl2NO4S2 and a molecular weight of 380.27 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
PubChem CID71590941
Molecular FormulaC13H11Cl2NO4S2
Molecular Weight380.27 g/mol
Exact Mass378.95
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO4S2/c1-16-22(19,20)11-4-2-3-9(7-11)21(17,18)10-5-6-12(14)13(15)8-10/h2-8,16H,1H3
InChIKeyAKRLGHCZRRORGI-UHFFFAOYSA-N
XLogP2.73
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide (CID 71590941) is 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide?
The InChIKey is AKRLGHCZRRORGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S2/c1-16-22(19,20)11-4-2-3-9(7-11)21(17,18)10-5-6-12(14)13(15)8-10/h2-8,16H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide?
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide has a molecular weight of 380.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 71590941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).