4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide

C15H17NO3S — CID 53219192

IUPAC4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc1O
InChIInChI=1S/C15H17NO3S/c1-11-4-5-13(10-15(11)17)12-6-8-14(9-7-12)20(18,19)16(2)3/h4-10,17H,1-3H3
InChIKeyMOOSVANMGAXKEF-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.62
Rot. Bonds3

About 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide

4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 53219192) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
PubChem CID53219192
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc1O
InChIInChI=1S/C15H17NO3S/c1-11-4-5-13(10-15(11)17)12-6-8-14(9-7-12)20(18,19)16(2)3/h4-10,17H,1-3H3
InChIKeyMOOSVANMGAXKEF-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 53219213
2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
CID 53228824
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
3-formyl-N,N,4-trimethylbenzenesulfonamide
CID 105484638
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
4-[3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222198
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222199
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide (CID 53219192) is 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is MOOSVANMGAXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-4-5-13(10-15(11)17)12-6-8-14(9-7-12)20(18,19)16(2)3/h4-10,17H,1-3H3.
What are the key properties of 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide?
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 53219192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).