4-chloro-N-(4-propylphenyl)benzenesulfonamide

C15H16ClNO2S — CID 167013208

IUPAC4-chloro-N-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO2S/c1-2-3-12-4-8-14(9-5-12)17-20(18,19)15-10-6-13(16)7-11-15/h4-11,17H,2-3H2,1H3
InChIKeyUKMLOBZAPNLAMN-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.09
Rot. Bonds5

About 4-chloro-N-(4-propylphenyl)benzenesulfonamide

4-chloro-N-(4-propylphenyl)benzenesulfonamide (PubChem CID 167013208) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-chloro-N-(4-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-propylphenyl)benzenesulfonamide
PubChem CID167013208
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name4-chloro-N-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO2S/c1-2-3-12-4-8-14(9-5-12)17-20(18,19)15-10-6-13(16)7-11-15/h4-11,17H,2-3H2,1H3
InChIKeyUKMLOBZAPNLAMN-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 43378598
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-propylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-propylphenyl)benzenesulfonamide (CID 167013208) is 4-chloro-N-(4-propylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-propylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-propylphenyl)benzenesulfonamide is CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-propylphenyl)benzenesulfonamide?
The InChIKey is UKMLOBZAPNLAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-2-3-12-4-8-14(9-5-12)17-20(18,19)15-10-6-13(16)7-11-15/h4-11,17H,2-3H2,1H3.
What are the key properties of 4-chloro-N-(4-propylphenyl)benzenesulfonamide?
4-chloro-N-(4-propylphenyl)benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 167013208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).