3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide

C14H22ClNO2S — CID 61250073

IUPAC3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)CCCCl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-2-3-4-6-13-7-9-14(10-8-13)16-19(17,18)12-5-11-15/h7-10,16H,2-6,11-12H2,1H3
InChIKeyJBPIONYFTXBONU-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.79
Rot. Bonds9

About 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide

3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide (PubChem CID 61250073) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
PubChem CID61250073
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)CCCCl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-2-3-4-6-13-7-9-14(10-8-13)16-19(17,18)12-5-11-15/h7-10,16H,2-6,11-12H2,1H3
InChIKeyJBPIONYFTXBONU-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
1-(3-chloropropylsulfonyl)-4-propylbenzene
CID 93189173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide (CID 61250073) is 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide is CCCCCc1ccc(NS(=O)(=O)CCCCl)cc1.
What is the InChIKey of 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide?
The InChIKey is JBPIONYFTXBONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-2-3-4-6-13-7-9-14(10-8-13)16-19(17,18)12-5-11-15/h7-10,16H,2-6,11-12H2,1H3.
What are the key properties of 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide?
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide has a molecular weight of 303.86 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 61250073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).