N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide

C17H21NO4S — CID 53221142

IUPACN-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1O
InChIInChI=1S/C17H21NO4S/c1-17(2,3)18-23(20,21)14-7-5-6-12(10-14)13-8-9-16(22-4)15(19)11-13/h5-11,18-19H,1-4H3
InChIKeyYKYBLYPYPDZWNG-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.14
Rot. Bonds4

About N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide

N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide (PubChem CID 53221142) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
PubChem CID53221142
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1O
InChIInChI=1S/C17H21NO4S/c1-17(2,3)18-23(20,21)14-7-5-6-12(10-14)13-8-9-16(22-4)15(19)11-13/h5-11,18-19H,1-4H3
InChIKeyYKYBLYPYPDZWNG-UHFFFAOYSA-N
XLogP3.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide
CID 53221898
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
5-[3-(tert-butylsulfamoyl)phenyl]-2-chlorobenzoic acid
CID 53229010
N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 53219213
N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
N-[3-(tert-butylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9371958
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
4-[3-(tert-butylsulfamoyl)phenyl]-2-nitrobenzoic acid
CID 53229016

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide (CID 53221142) is N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1O.
What is the InChIKey of N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is YKYBLYPYPDZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-17(2,3)18-23(20,21)14-7-5-6-12(10-14)13-8-9-16(22-4)15(19)11-13/h5-11,18-19H,1-4H3.
What are the key properties of N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide?
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 53221142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).