N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide

C21H18N2O3S — CID 46833322

IUPACN-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cc(-c3ccc(C#N)c(O)c3)c2)cc1
InChIInChI=1S/C21H18N2O3S/c1-14-3-7-20(8-4-14)27(25,26)23-19-10-15(2)9-18(11-19)16-5-6-17(13-22)21(24)12-16/h3-12,23-24H,1-2H3
InChIKeySIOLMBWWGHUDLM-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.35
Rot. Bonds4

About N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide

N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide (PubChem CID 46833322) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
PubChem CID46833322
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cc(-c3ccc(C#N)c(O)c3)c2)cc1
InChIInChI=1S/C21H18N2O3S/c1-14-3-7-20(8-4-14)27(25,26)23-19-10-15(2)9-18(11-19)16-5-6-17(13-22)21(24)12-16/h3-12,23-24H,1-2H3
InChIKeySIOLMBWWGHUDLM-UHFFFAOYSA-N
XLogP4.35
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-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

N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
N-(3,5-dinitrophenyl)-4-methylbenzenesulfonamide
CID 169370127
N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide
CID 46831488
4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide
CID 67283464
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
CID 106831820
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(2-cyano-4-nitrophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 9107537
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide (CID 46833322) is N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)cc(-c3ccc(C#N)c(O)c3)c2)cc1.
What is the InChIKey of N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is SIOLMBWWGHUDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-14-3-7-20(8-4-14)27(25,26)23-19-10-15(2)9-18(11-19)16-5-6-17(13-22)21(24)12-16/h3-12,23-24H,1-2H3.
What are the key properties of N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide?
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46833322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).