2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide

C15H26N2O2S — CID 61110431

IUPAC2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)c(N)c1
InChIInChI=1S/C15H26N2O2S/c1-11(2)6-5-7-13(4)17-20(18,19)15-9-8-12(3)10-14(15)16/h8-11,13,17H,5-7,16H2,1-4H3
InChIKeyHTSMVLXHKDFZJK-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.07
Rot. Bonds7

About 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide

2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 61110431) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID61110431
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)c(N)c1
InChIInChI=1S/C15H26N2O2S/c1-11(2)6-5-7-13(4)17-20(18,19)15-9-8-12(3)10-14(15)16/h8-11,13,17H,5-7,16H2,1-4H3
InChIKeyHTSMVLXHKDFZJK-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.07
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-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 107343293
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
5-amino-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61108156
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 61110431) is 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CCCC(C)C)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is HTSMVLXHKDFZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(2)6-5-7-13(4)17-20(18,19)15-9-8-12(3)10-14(15)16/h8-11,13,17H,5-7,16H2,1-4H3.
What are the key properties of 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61110431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).