4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide

C16H22N2O2S — CID 115944465

IUPAC4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C16H22N2O2S/c1-3-4-7-12(2)18-21(19,20)16-11-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-12,18H,3-4,7,17H2,1-2H3
InChIKeyZHIBUCNPFMFDRY-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.28
Rot. Bonds6

About 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide

4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide (PubChem CID 115944465) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
PubChem CID115944465
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C16H22N2O2S/c1-3-4-7-12(2)18-21(19,20)16-11-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-12,18H,3-4,7,17H2,1-2H3
InChIKeyZHIBUCNPFMFDRY-UHFFFAOYSA-N
XLogP3.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.28
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

3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
CID 68798786
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide (CID 115944465) is 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide is CCCCC(C)NS(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide?
The InChIKey is ZHIBUCNPFMFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-4-7-12(2)18-21(19,20)16-11-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-12,18H,3-4,7,17H2,1-2H3.
What are the key properties of 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide?
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 115944465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).