3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide

C12H9Cl2NO4S2 — CID 18537457

IUPAC3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO4S2/c13-9-3-1-5-11(7-9)20(16,17)15-21(18,19)12-6-2-4-10(14)8-12/h1-8,15H
InChIKeyPNYLEVBSAFTLPZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.66
Rot. Bonds4

About 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide

3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide (PubChem CID 18537457) has the molecular formula C12H9Cl2NO4S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
PubChem CID18537457
Molecular FormulaC12H9Cl2NO4S2
Molecular Weight366.25 g/mol
Exact Mass364.94
IUPAC Name3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO4S2/c13-9-3-1-5-11(7-9)20(16,17)15-21(18,19)12-6-2-4-10(14)8-12/h1-8,15H
InChIKeyPNYLEVBSAFTLPZ-UHFFFAOYSA-N
XLogP2.66
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chlorobenzenesulfonohydrazide
CID 12924057
(3-chlorophenyl)sulfonylurea
CID 117060605
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
N-(3-chlorophenyl)sulfonyl-3-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146147307
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-chloro-N-ethoxybenzenesulfonamide
CID 60700498
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
[(3-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]urea
CID 177035624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide (CID 18537457) is 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide is O=S(=O)(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide?
The InChIKey is PNYLEVBSAFTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S2/c13-9-3-1-5-11(7-9)20(16,17)15-21(18,19)12-6-2-4-10(14)8-12/h1-8,15H.
What are the key properties of 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide?
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide has a molecular weight of 366.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 18537457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).