4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide

C14H14ClNO3S — CID 39845450

IUPAC4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-9-7-14(10(2)6-13(9)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,1-2H3
InChIKeyNMARBJRDEZHITO-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 39845450) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID39845450
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-9-7-14(10(2)6-13(9)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,1-2H3
InChIKeyNMARBJRDEZHITO-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 39845450) is 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is NMARBJRDEZHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-9-7-14(10(2)6-13(9)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,1-2H3.
What are the key properties of 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 39845450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).