N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide

C14H11ClN2O3S — CID 106831840

IUPACN-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1C#N
InChIInChI=1S/C14H11ClN2O3S/c1-9-6-12(4-2-10(9)8-16)21(19,20)17-11-3-5-14(18)13(15)7-11/h2-7,17-18H,1H3
InChIKeyDKFUEUUGABXNSK-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.03
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide

N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide (PubChem CID 106831840) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
PubChem CID106831840
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1C#N
InChIInChI=1S/C14H11ClN2O3S/c1-9-6-12(4-2-10(9)8-16)21(19,20)17-11-3-5-14(18)13(15)7-11/h2-7,17-18H,1H3
InChIKeyDKFUEUUGABXNSK-UHFFFAOYSA-N
XLogP3.03
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide 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

4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
CID 106831820
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
CID 106920464
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide (CID 106831840) is N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1C#N.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide?
The InChIKey is DKFUEUUGABXNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-9-6-12(4-2-10(9)8-16)21(19,20)17-11-3-5-14(18)13(15)7-11/h2-7,17-18H,1H3.
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide?
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 106831840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).