N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide

C13H20ClNO2S — CID 110601627

IUPACN-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO2S/c1-2-10-18(16,17)15-9-4-3-6-12-7-5-8-13(14)11-12/h5,7-8,11,15H,2-4,6,9-10H2,1H3
InChIKeyVNSZLYQYZRYAMN-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.99
Rot. Bonds8

About N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide

N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide (PubChem CID 110601627) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
PubChem CID110601627
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC NameN-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO2S/c1-2-10-18(16,17)15-9-4-3-6-12-7-5-8-13(14)11-12/h5,7-8,11,15H,2-4,6,9-10H2,1H3
InChIKeyVNSZLYQYZRYAMN-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
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N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
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N-[3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide;hydrochloride
CID 140556013
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388
1-(7-tert-butylsulfonylheptyl)-3-chlorobenzene
CID 159161335
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
CID 110667285
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide (CID 110601627) is N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCCc1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide?
The InChIKey is VNSZLYQYZRYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-2-10-18(16,17)15-9-4-3-6-12-7-5-8-13(14)11-12/h5,7-8,11,15H,2-4,6,9-10H2,1H3.
What are the key properties of N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide?
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide has a molecular weight of 289.83 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide is sourced from PubChem (CID 110601627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).