4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide

C13H18ClFN2O3S — CID 65387595

IUPAC4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O3S/c1-7(2)4-8(3)17-13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-8H,4H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeySNWPANZBEBKYQM-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.29
Rot. Bonds5

About 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide

4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65387595) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
PubChem CID65387595
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O3S/c1-7(2)4-8(3)17-13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-8H,4H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeySNWPANZBEBKYQM-UHFFFAOYSA-N
XLogP2.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913420
4-chloro-N-(2,4-dichlorophenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913416
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide (CID 65387595) is 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide is CC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is SNWPANZBEBKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c1-7(2)4-8(3)17-13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-8H,4H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide?
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 336.82 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).