2,4-dichloro-6-cyanobenzenesulfonamide

C7H4Cl2N2O2S — CID 171007997

IUPAC2,4-dichloro-6-cyanobenzenesulfonamide
SMILESN#Cc1cc(Cl)cc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H4Cl2N2O2S/c8-5-1-4(3-10)7(6(9)2-5)14(11,12)13/h1-2H,(H2,11,12,13)
InChIKeyQVNCTFXQSXAHSS-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.51
Rot. Bonds1

About 2,4-dichloro-6-cyanobenzenesulfonamide

2,4-dichloro-6-cyanobenzenesulfonamide (PubChem CID 171007997) has the molecular formula C7H4Cl2N2O2S and a molecular weight of 251.09 g/mol. Its IUPAC name is 2,4-dichloro-6-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-cyanobenzenesulfonamide
PubChem CID171007997
Molecular FormulaC7H4Cl2N2O2S
Molecular Weight251.09 g/mol
Exact Mass249.94
IUPAC Name2,4-dichloro-6-cyanobenzenesulfonamide
SMILESN#Cc1cc(Cl)cc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H4Cl2N2O2S/c8-5-1-4(3-10)7(6(9)2-5)14(11,12)13/h1-2H,(H2,11,12,13)
InChIKeyQVNCTFXQSXAHSS-UHFFFAOYSA-N
XLogP1.51
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-6-cyanobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-5-(2,4,6-trichlorophenyl)sulfonylbenzonitrile
CID 143476608
2,3,5-trichlorobenzonitrile
CID 19800061
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
5-chloro-2-cyanobenzenesulfonamide
CID 43243622
2,6-dibromo-4-chlorobenzenesulfonamide
CID 130484005
3-chloro-5-cyanobenzenesulfonamide
CID 129416074
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
ethyl 2,4-dichloro-6-cyanobenzoate
CID 134650108
4-chloro-2-cyanobenzenesulfonyl fluoride
CID 122236117
2-amino-5-chloro-3-cyanobenzoic acid
CID 72545064
3-amino-6-cyano-2-methylbenzenesulfonamide
CID 150282690
2-[(R)-amino(cyclobutyl)methyl]-3,5-dichlorobenzonitrile
CID 131461933

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-cyanobenzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-cyanobenzenesulfonamide (CID 171007997) is 2,4-dichloro-6-cyanobenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-cyanobenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-cyanobenzenesulfonamide is N#Cc1cc(Cl)cc(Cl)c1S(N)(=O)=O.
What is the InChIKey of 2,4-dichloro-6-cyanobenzenesulfonamide?
The InChIKey is QVNCTFXQSXAHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O2S/c8-5-1-4(3-10)7(6(9)2-5)14(11,12)13/h1-2H,(H2,11,12,13).
What are the key properties of 2,4-dichloro-6-cyanobenzenesulfonamide?
2,4-dichloro-6-cyanobenzenesulfonamide has a molecular weight of 251.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-cyanobenzenesulfonamide is sourced from PubChem (CID 171007997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).