N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide

C17H21NO4S — CID 67682633

IUPACN-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide
SMILESCCCCOc1ccccc1NS(=O)(=O)c1cc(O)ccc1C
InChIInChI=1S/C17H21NO4S/c1-3-4-11-22-16-8-6-5-7-15(16)18-23(20,21)17-12-14(19)10-9-13(17)2/h5-10,12,18-19H,3-4,11H2,1-2H3
InChIKeyYVCQMFOFXQPPSE-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.68
Rot. Bonds7

About N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide

N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide (PubChem CID 67682633) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide
PubChem CID67682633
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide
SMILESCCCCOc1ccccc1NS(=O)(=O)c1cc(O)ccc1C
InChIInChI=1S/C17H21NO4S/c1-3-4-11-22-16-8-6-5-7-15(16)18-23(20,21)17-12-14(19)10-9-13(17)2/h5-10,12,18-19H,3-4,11H2,1-2H3
InChIKeyYVCQMFOFXQPPSE-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-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
CID 16645091
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
3-butoxy-4-methylphenol
CID 54016675
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide (CID 67682633) is N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide is CCCCOc1ccccc1NS(=O)(=O)c1cc(O)ccc1C.
What is the InChIKey of N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide?
The InChIKey is YVCQMFOFXQPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-3-4-11-22-16-8-6-5-7-15(16)18-23(20,21)17-12-14(19)10-9-13(17)2/h5-10,12,18-19H,3-4,11H2,1-2H3.
What are the key properties of N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide?
N-(2-butoxyphenyl)-5-hydroxy-2-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 N-(2-butoxyphenyl)-5-hydroxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 67682633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).