8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide

C15H18ClNO2S — CID 25036817

IUPAC8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C15H18ClNO2S/c1-3-11(2)10-17-20(18,19)14-9-5-7-12-6-4-8-13(16)15(12)14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyIJPFTKFTEIDBAI-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.82
Rot. Bonds5

About 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide

8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide (PubChem CID 25036817) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
PubChem CID25036817
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C15H18ClNO2S/c1-3-11(2)10-17-20(18,19)14-9-5-7-12-6-4-8-13(16)15(12)14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyIJPFTKFTEIDBAI-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
CID 25037675
8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
CID 25047106
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
CID 5178973
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
2-cyano-3-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 86043325
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide (CID 25036817) is 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide is CCC(C)CNS(=O)(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide?
The InChIKey is IJPFTKFTEIDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-3-11(2)10-17-20(18,19)14-9-5-7-12-6-4-8-13(16)15(12)14/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide?
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide has a molecular weight of 311.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 25036817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).