N-(3-chlorophenyl)-4-pentylbenzenesulfonamide

C17H20ClNO2S — CID 3741817

IUPACN-(3-chlorophenyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2S/c1-2-3-4-6-14-9-11-17(12-10-14)22(20,21)19-16-8-5-7-15(18)13-16/h5,7-13,19H,2-4,6H2,1H3
InChIKeyWOSWGRWYIWDXBN-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.87
Rot. Bonds7

About N-(3-chlorophenyl)-4-pentylbenzenesulfonamide

N-(3-chlorophenyl)-4-pentylbenzenesulfonamide (PubChem CID 3741817) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pentylbenzenesulfonamide
PubChem CID3741817
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC NameN-(3-chlorophenyl)-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO2S/c1-2-3-4-6-14-9-11-17(12-10-14)22(20,21)19-16-8-5-7-15(18)13-16/h5,7-13,19H,2-4,6H2,1H3
InChIKeyWOSWGRWYIWDXBN-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.87
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

4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(4-chloro-3-nitrophenyl)-4-hexylbenzenesulfonamide
CID 84552306
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
N-(3-propylphenyl)benzenesulfonamide
CID 71064838

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pentylbenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-pentylbenzenesulfonamide (CID 3741817) is N-(3-chlorophenyl)-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pentylbenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-pentylbenzenesulfonamide?
The InChIKey is WOSWGRWYIWDXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-2-3-4-6-14-9-11-17(12-10-14)22(20,21)19-16-8-5-7-15(18)13-16/h5,7-13,19H,2-4,6H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-pentylbenzenesulfonamide?
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pentylbenzenesulfonamide is sourced from PubChem (CID 3741817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).