4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide

C14H24N2O3S — CID 66179306

IUPAC4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)CC(C)C)ccc1N
InChIInChI=1S/C14H24N2O3S/c1-10(2)8-14(4,17)9-16-20(18,19)12-5-6-13(15)11(3)7-12/h5-7,10,16-17H,8-9,15H2,1-4H3
InChIKeyVQZPCXVTAWAXIS-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.65
Rot. Bonds6

About 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide

4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide (PubChem CID 66179306) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
PubChem CID66179306
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)CC(C)C)ccc1N
InChIInChI=1S/C14H24N2O3S/c1-10(2)8-14(4,17)9-16-20(18,19)12-5-6-13(15)11(3)7-12/h5-7,10,16-17H,8-9,15H2,1-4H3
InChIKeyVQZPCXVTAWAXIS-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.65
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

3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180763
4-(bromomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66171878
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179689
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968
3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
3-amino-4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242953
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 66179699
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
5-amino-2,3-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide (CID 66179306) is 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(O)CC(C)C)ccc1N.
What is the InChIKey of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide?
The InChIKey is VQZPCXVTAWAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10(2)8-14(4,17)9-16-20(18,19)12-5-6-13(15)11(3)7-12/h5-7,10,16-17H,8-9,15H2,1-4H3.
What are the key properties of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide?
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.65, 6 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-2,4-dimethylpentyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 66179306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).