2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide

C12H16ClFN2O3S — CID 65373631

IUPAC2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-2-3-4-5-16-12(17)8-6-11(20(15,18)19)10(14)7-9(8)13/h6-7H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyMAYRJLRKESELLC-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.05
Rot. Bonds6

About 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide

2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide (PubChem CID 65373631) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
PubChem CID65373631
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-2-3-4-5-16-12(17)8-6-11(20(15,18)19)10(14)7-9(8)13/h6-7H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyMAYRJLRKESELLC-UHFFFAOYSA-N
XLogP2.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
2-bromo-4-chloro-5-(hexylcarbamoyl)benzenesulfonyl chloride
CID 65397654
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126508709
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
pentyl 4-chloro-2-fluoro-5-sulfamoylbenzoate
CID 65379672
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
2,4-dichloro-N-nonylbenzamide
CID 3596264
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide (CID 65373631) is 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide is CCCCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide?
The InChIKey is MAYRJLRKESELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c1-2-3-4-5-16-12(17)8-6-11(20(15,18)19)10(14)7-9(8)13/h6-7H,2-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide?
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide has a molecular weight of 322.79 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65373631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).