N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide

C14H14ClNO3S — CID 81258266

IUPACN-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H14ClNO3S/c1-16(10-11-4-2-5-12(15)8-11)20(18,19)14-7-3-6-13(17)9-14/h2-9,17H,10H2,1H3
InChIKeyGEQODBLNLDUVQF-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.87
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide

N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide (PubChem CID 81258266) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
PubChem CID81258266
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H14ClNO3S/c1-16(10-11-4-2-5-12(15)8-11)20(18,19)14-7-3-6-13(17)9-14/h2-9,17H,10H2,1H3
InChIKeyGEQODBLNLDUVQF-UHFFFAOYSA-N
XLogP2.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61105388
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzenesulfonamide
CID 61417227
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937898
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64602441
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-hydroxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 81259126
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide (CID 81258266) is N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide is CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is GEQODBLNLDUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-16(10-11-4-2-5-12(15)8-11)20(18,19)14-7-3-6-13(17)9-14/h2-9,17H,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide?
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 81258266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).