(4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide

C12H7Cl3NO2S- — CID 4740400

IUPAC(4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide
SMILESO=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl3NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7H/q-1
InChIKeyAOVFMCMDBBAZIV-UHFFFAOYSA-N
MW335.62 g/mol
LogP5.04
Rot. Bonds3

About (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide

(4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide (PubChem CID 4740400) has the molecular formula C12H7Cl3NO2S- and a molecular weight of 335.62 g/mol. Its IUPAC name is (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide.

Molecular Properties

Compound Name(4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide
PubChem CID4740400
Molecular FormulaC12H7Cl3NO2S-
Molecular Weight335.62 g/mol
Exact Mass333.93
IUPAC Name(4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide
SMILESO=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl3NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7H/q-1
InChIKeyAOVFMCMDBBAZIV-UHFFFAOYSA-N
XLogP5.04
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(2,5-dichlorophenyl)sulfonylazanide
CID 4744428
(4-chlorophenyl)sulfonyl-methylazanide
CID 101403328
CID 87064436
CID 87064436
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664
2-(4-chlorophenyl)sulfonyloxirane
CID 73347392
1,4-dichloro-2-[(4-methylphenyl)sulfonylmethyl]benzene
CID 173074233
7-chlorophenazine-2-sulfonamide
CID 121010927

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide?
The IUPAC name of (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide (CID 4740400) is (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide.
What is the SMILES notation for (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide?
The canonical SMILES for (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide is O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide?
The InChIKey is AOVFMCMDBBAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7H/q-1.
What are the key properties of (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide?
(4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide has a molecular weight of 335.62 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)sulfonyl-(2,5-dichlorophenyl)azanide is sourced from PubChem (CID 4740400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).