4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide

C12H16BrClN2O3S — CID 65388652

IUPAC4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-3-7(2)6-16-12(17)8-4-11(20(15,18)19)9(13)5-10(8)14/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyBNUFWFNRLIZGDM-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.53
Rot. Bonds5

About 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide

4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide (PubChem CID 65388652) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide
PubChem CID65388652
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-3-7(2)6-16-12(17)8-4-11(20(15,18)19)9(13)5-10(8)14/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyBNUFWFNRLIZGDM-UHFFFAOYSA-N
XLogP2.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-5-(2-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65396451
4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65387965
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
propyl 4-bromo-2-chloro-5-sulfamoylbenzoate
CID 65380802
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide (CID 65388652) is 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide is CCC(C)CNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The InChIKey is BNUFWFNRLIZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-3-7(2)6-16-12(17)8-4-11(20(15,18)19)9(13)5-10(8)14/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide?
4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide has a molecular weight of 383.70 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).