N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide

C15H18N2O3S — CID 115378355

IUPACN-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1N(C)C
InChIInChI=1S/C15H18N2O3S/c1-11-4-5-12(10-15(11)17(2)3)16-21(19,20)14-8-6-13(18)7-9-14/h4-10,16,18H,1-3H3
InChIKeyGPKAPEYBOSSYJA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.57
Rot. Bonds4

About N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide

N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide (PubChem CID 115378355) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
PubChem CID115378355
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1N(C)C
InChIInChI=1S/C15H18N2O3S/c1-11-4-5-12(10-15(11)17(2)3)16-21(19,20)14-8-6-13(18)7-9-14/h4-10,16,18H,1-3H3
InChIKeyGPKAPEYBOSSYJA-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 115376859
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide (CID 115378355) is N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(O)cc2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide?
The InChIKey is GPKAPEYBOSSYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-4-5-12(10-15(11)17(2)3)16-21(19,20)14-8-6-13(18)7-9-14/h4-10,16,18H,1-3H3.
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide?
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 115378355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).