4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H18N2O3S — CID 43682539

IUPAC4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-17(2)21(19,20)15-8-6-13(7-9-15)16-11-12-4-3-5-14(18)10-12/h3-10,16,18H,11H2,1-2H3
InChIKeyGGNFRCIKQWPBDS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.25
Rot. Bonds5

About 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide

4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43682539) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID43682539
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-17(2)21(19,20)15-8-6-13(7-9-15)16-11-12-4-3-5-14(18)10-12/h3-10,16,18H,11H2,1-2H3
InChIKeyGGNFRCIKQWPBDS-UHFFFAOYSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
3-[(4-ethylsulfonylanilino)methyl]phenol
CID 43689674
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
CID 99843072
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
4-[(2-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43425513

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 43682539) is 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2cccc(O)c2)cc1.
What is the InChIKey of 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GGNFRCIKQWPBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(2)21(19,20)15-8-6-13(7-9-15)16-11-12-4-3-5-14(18)10-12/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43682539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).