N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide

C14H22ClNO2S — CID 113496582

IUPACN-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
SMILESCCCC(Cl)CNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H22ClNO2S/c1-3-7-14(15)10-16-19(17,18)11-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11H2,1-2H3
InChIKeyDQRHXOUYUVJSSB-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.12
Rot. Bonds8

About N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide

N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide (PubChem CID 113496582) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
PubChem CID113496582
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC NameN-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
SMILESCCCC(Cl)CNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H22ClNO2S/c1-3-7-14(15)10-16-19(17,18)11-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11H2,1-2H3
InChIKeyDQRHXOUYUVJSSB-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158308
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
CID 106145736

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide (CID 113496582) is N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide is CCCC(Cl)CNS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is DQRHXOUYUVJSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-3-7-14(15)10-16-19(17,18)11-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11H2,1-2H3.
What are the key properties of N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide?
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 303.85 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113496582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).