5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide

C15H26N2O3S — CID 106140110

IUPAC5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H26N2O3S/c1-4-12-6-7-13(16)10-14(12)21(19,20)17-11-15(2,3)8-5-9-18/h6-7,10,17-18H,4-5,8-9,11,16H2,1-3H3
InChIKeyDZQNGZOOPUAMTN-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.91
Rot. Bonds8

About 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide

5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide (PubChem CID 106140110) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
PubChem CID106140110
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H26N2O3S/c1-4-12-6-7-13(16)10-14(12)21(19,20)17-11-15(2,3)8-5-9-18/h6-7,10,17-18H,4-5,8-9,11,16H2,1-3H3
InChIKeyDZQNGZOOPUAMTN-UHFFFAOYSA-N
XLogP1.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.91
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

5-amino-2,3-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106139996
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzenesulfonamide
CID 106140106
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 106140140
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide (CID 106140110) is 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCC(C)(C)CCCO.
What is the InChIKey of 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide?
The InChIKey is DZQNGZOOPUAMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-12-6-7-13(16)10-14(12)21(19,20)17-11-15(2,3)8-5-9-18/h6-7,10,17-18H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide?
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide is sourced from PubChem (CID 106140110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).