2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide

C19H22ClFN2O3S — CID 27659841

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C19H22ClFN2O3S/c1-3-4-5-12-22-19(24)17-13-16(10-11-18(17)20)27(25,26)23(2)15-8-6-14(21)7-9-15/h6-11,13H,3-5,12H2,1-2H3,(H,22,24)
InChIKeySFTWIUWZRZFCBR-UHFFFAOYSA-N
MW412.91 g/mol
LogP4.22
Rot. Bonds8

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide (PubChem CID 27659841) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
PubChem CID27659841
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C19H22ClFN2O3S/c1-3-4-5-12-22-19(24)17-13-16(10-11-18(17)20)27(25,26)23(2)15-8-6-14(21)7-9-15/h6-11,13H,3-5,12H2,1-2H3,(H,22,24)
InChIKeySFTWIUWZRZFCBR-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
2-chloro-N-[2-(cyclohexanecarbonylamino)ethyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55805861
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471264
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55780312
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide (CID 27659841) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide?
The InChIKey is SFTWIUWZRZFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-3-4-5-12-22-19(24)17-13-16(10-11-18(17)20)27(25,26)23(2)15-8-6-14(21)7-9-15/h6-11,13H,3-5,12H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide has a molecular weight of 412.91 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 27659841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).