N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide

C15H24ClNO2S — CID 107158308

IUPACN-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
SMILESCC(C)CC(Cl)CNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H24ClNO2S/c1-12(2)9-15(16)10-17-20(18,19)11-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3
InChIKeyXKTWXUNCRNCDNY-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.36
Rot. Bonds8

About N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide

N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide (PubChem CID 107158308) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
PubChem CID107158308
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC NameN-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
SMILESCC(C)CC(Cl)CNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H24ClNO2S/c1-12(2)9-15(16)10-17-20(18,19)11-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3
InChIKeyXKTWXUNCRNCDNY-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide (CID 107158308) is N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide is CC(C)CC(Cl)CNS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is XKTWXUNCRNCDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-12(2)9-15(16)10-17-20(18,19)11-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3.
What are the key properties of N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide?
N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 317.88 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 107158308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).