4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide

C15H26N2O3S — CID 107150700

IUPAC4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C15H26N2O3S/c1-10-6-12(16)7-11(2)14(10)21(19,20)17-9-13(18)8-15(3,4)5/h6-7,13,17-18H,8-9,16H2,1-5H3
InChIKeyWPEQMNJGWXBAOZ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.96
Rot. Bonds5

About 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107150700) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107150700
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C15H26N2O3S/c1-10-6-12(16)7-11(2)14(10)21(19,20)17-9-13(18)8-15(3,4)5/h6-7,13,17-18H,8-9,16H2,1-5H3
InChIKeyWPEQMNJGWXBAOZ-UHFFFAOYSA-N
XLogP1.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
CID 107155364
3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165069
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
3,5-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835521
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835464
3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
2-amino-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107150701

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide (CID 107150700) is 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is WPEQMNJGWXBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-10-6-12(16)7-11(2)14(10)21(19,20)17-9-13(18)8-15(3,4)5/h6-7,13,17-18H,8-9,16H2,1-5H3.
What are the key properties of 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107150700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).