4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide

C17H21NO4S — CID 91758551

IUPAC4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1C
InChIInChI=1S/C17H21NO4S/c1-3-4-10-22-17-9-8-16(11-13(17)2)23(20,21)18-14-6-5-7-15(19)12-14/h5-9,11-12,18-19H,3-4,10H2,1-2H3
InChIKeyKAARONNUEQVQSU-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.68
Rot. Bonds7

About 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide

4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 91758551) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
PubChem CID91758551
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1C
InChIInChI=1S/C17H21NO4S/c1-3-4-10-22-17-9-8-16(11-13(17)2)23(20,21)18-14-6-5-7-15(19)12-14/h5-9,11-12,18-19H,3-4,10H2,1-2H3
InChIKeyKAARONNUEQVQSU-UHFFFAOYSA-N
XLogP3.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-hexoxy-3-methylbenzenesulfonic acid
CID 87682084
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide (CID 91758551) is 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide is CCCCOc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1C.
What is the InChIKey of 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is KAARONNUEQVQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-3-4-10-22-17-9-8-16(11-13(17)2)23(20,21)18-14-6-5-7-15(19)12-14/h5-9,11-12,18-19H,3-4,10H2,1-2H3.
What are the key properties of 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide?
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 91758551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).