3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide

C15H18N2O3S — CID 43684675

IUPAC3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2ccc(O)cc2)c1C
InChIInChI=1S/C15H18N2O3S/c1-10-7-14(21(16,19)20)8-15(11(10)2)17-9-12-3-5-13(18)6-4-12/h3-8,17-18H,9H2,1-2H3,(H2,16,19,20)
InChIKeyHIHIVMFSEKXMDT-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.27
Rot. Bonds4

About 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide

3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide (PubChem CID 43684675) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
PubChem CID43684675
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2ccc(O)cc2)c1C
InChIInChI=1S/C15H18N2O3S/c1-10-7-14(21(16,19)20)8-15(11(10)2)17-9-12-3-5-13(18)6-4-12/h3-8,17-18H,9H2,1-2H3,(H2,16,19,20)
InChIKeyHIHIVMFSEKXMDT-UHFFFAOYSA-N
XLogP2.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 79782258
3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 43684711
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684742
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
CID 9241775
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methylbenzenesulfonamide
CID 81432174

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide (CID 43684675) is 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NCc2ccc(O)cc2)c1C.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide?
The InChIKey is HIHIVMFSEKXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-7-14(21(16,19)20)8-15(11(10)2)17-9-12-3-5-13(18)6-4-12/h3-8,17-18H,9H2,1-2H3,(H2,16,19,20).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide?
3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43684675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).