2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide

C14H11ClN2O3S — CID 114332498

IUPAC2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C14H11ClN2O3S/c15-13-6-3-11(8-16)7-14(13)21(19,20)17-9-10-1-4-12(18)5-2-10/h1-7,17-18H,9H2
InChIKeyPZQGOADAVXPJFY-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide

2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 114332498) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID114332498
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C14H11ClN2O3S/c15-13-6-3-11(8-16)7-14(13)21(19,20)17-9-10-1-4-12(18)5-2-10/h1-7,17-18H,9H2
InChIKeyPZQGOADAVXPJFY-UHFFFAOYSA-N
XLogP2.40
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 4442857
2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 103088431
2-cyano-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753712
2-chloro-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753714
3-cyano-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753719
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753842
2-chloro-5-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 115753857
2-chloro-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753862
N-(4-hydroxybenzyl)-4-chlorobenzenesulfonamide
CID 18175258
(E)-N-benzyl-2-(2-chloro-4-hydroxyphenyl)-1-cyanoethenesulfonamide
CID 22000617
N-benzyl-2-(2-chloro-4-hydroxyphenyl)-1-cyanoethenesulfonamide
CID 54244330
N-[(3-chlorophenyl)methyl]-4-hydroxybenzenesulfonamide
CID 54340462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide (CID 114332498) is 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(O)cc2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is PZQGOADAVXPJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-13-6-3-11(8-16)7-14(13)21(19,20)17-9-10-1-4-12(18)5-2-10/h1-7,17-18H,9H2.
What are the key properties of 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114332498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).