4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide

C17H21NO4S — CID 125116690

IUPAC4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO4S/c1-13(2)18(12-14-4-8-16(22-3)9-5-14)23(20,21)17-10-6-15(19)7-11-17/h4-11,13,19H,12H2,1-3H3
InChIKeyWVFAGCUTPGHSPY-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.00
Rot. Bonds6

About 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide

4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 125116690) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID125116690
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO4S/c1-13(2)18(12-14-4-8-16(22-3)9-5-14)23(20,21)17-10-6-15(19)7-11-17/h4-11,13,19H,12H2,1-3H3
InChIKeyWVFAGCUTPGHSPY-UHFFFAOYSA-N
XLogP3.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
3-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 163201385
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N-(3-bromopropyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 80672135
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
N'-hydroxy-2-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 77044628
4-methoxy-N-[(2R)-1-sulfanylpropan-2-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 59983833
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 125116690) is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide is COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is WVFAGCUTPGHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13(2)18(12-14-4-8-16(22-3)9-5-14)23(20,21)17-10-6-15(19)7-11-17/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide?
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 125116690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).