3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide

C13H22N2O2S — CID 55050396

IUPAC3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C13H22N2O2S/c1-4-5-7-10(2)15-18(16,17)13-9-6-8-12(14)11(13)3/h6,8-10,15H,4-5,7,14H2,1-3H3
InChIKeyDUIOBYRWMKEMAC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.43
Rot. Bonds6

About 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide

3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide (PubChem CID 55050396) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
PubChem CID55050396
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C13H22N2O2S/c1-4-5-7-10(2)15-18(16,17)13-9-6-8-12(14)11(13)3/h6,8-10,15H,4-5,7,14H2,1-3H3
InChIKeyDUIOBYRWMKEMAC-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 54955050
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
3-(2-ethylhexylsulfonyl)-2-methylaniline
CID 81191238
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide (CID 55050396) is 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide?
The InChIKey is DUIOBYRWMKEMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-7-10(2)15-18(16,17)13-9-6-8-12(14)11(13)3/h6,8-10,15H,4-5,7,14H2,1-3H3.
What are the key properties of 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide?
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide is sourced from PubChem (CID 55050396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).