N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide

C18H14N2O3S2 — CID 67283512

IUPACN-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide
SMILESCc1ccc(-c2csc(C#N)c2)cc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H14N2O3S2/c1-12-2-3-13(14-8-16(10-19)24-11-14)9-18(12)20-25(22,23)17-6-4-15(21)5-7-17/h2-9,11,20-21H,1H3
InChIKeyITXQKQMQHMPIRC-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.10
Rot. Bonds4

About N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide

N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide (PubChem CID 67283512) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide
PubChem CID67283512
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC NameN-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide
SMILESCc1ccc(-c2csc(C#N)c2)cc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H14N2O3S2/c1-12-2-3-13(14-8-16(10-19)24-11-14)9-18(12)20-25(22,23)17-6-4-15(21)5-7-17/h2-9,11,20-21H,1H3
InChIKeyITXQKQMQHMPIRC-UHFFFAOYSA-N
XLogP4.10
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide
CID 67283407
5-methyl-N-[2-methyl-5-(5-methylthiophen-3-yl)phenyl]thiophene-3-sulfonamide
CID 67283189
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide
CID 67284172
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
CID 46833322
4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide
CID 46831774
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
CID 122283678
N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 53219213

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide?
The IUPAC name of N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide (CID 67283512) is N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide is Cc1ccc(-c2csc(C#N)c2)cc1NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide?
The InChIKey is ITXQKQMQHMPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-12-2-3-13(14-8-16(10-19)24-11-14)9-18(12)20-25(22,23)17-6-4-15(21)5-7-17/h2-9,11,20-21H,1H3.
What are the key properties of N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide?
N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide has a molecular weight of 370.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 67283512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).