N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide

C12H16ClFN2O3S — CID 65373674

IUPACN-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-3-4-5-16(2)12(17)8-6-11(20(15,18)19)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3,(H2,15,18,19)
InChIKeySHDJAXFYIITJIP-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.00
Rot. Bonds5

About N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide

N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 65373674) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID65373674
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC NameN-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O3S/c1-3-4-5-16(2)12(17)8-6-11(20(15,18)19)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3,(H2,15,18,19)
InChIKeySHDJAXFYIITJIP-UHFFFAOYSA-N
XLogP2.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
CID 65375226
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387
N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 78796282
4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65371948
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
pentyl 4-chloro-2-fluoro-5-sulfamoylbenzoate
CID 65379672

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide (CID 65373674) is N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide is CCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is SHDJAXFYIITJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c1-3-4-5-16(2)12(17)8-6-11(20(15,18)19)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3,(H2,15,18,19).
What are the key properties of N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide?
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 322.79 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65373674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).