N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide

C15H15ClFNO2S — CID 8500802

IUPACN-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-9-6-12(17)10-14(15)16/h4-10,18H,2-3H2,1H3
InChIKeyNUGFUPRPFSEBNK-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.23
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide

N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide (PubChem CID 8500802) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
PubChem CID8500802
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-9-6-12(17)10-14(15)16/h4-10,18H,2-3H2,1H3
InChIKeyNUGFUPRPFSEBNK-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
CID 61072072
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 3597119
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441
N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
CID 67034890
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide
CID 106028967

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide (CID 8500802) is N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide?
The InChIKey is NUGFUPRPFSEBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-9-6-12(17)10-14(15)16/h4-10,18H,2-3H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide?
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 8500802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).