4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide

C12H17BrN2O3S — CID 38768051

IUPAC4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
SMILESCC(C)CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17BrN2O3S/c1-8(2)5-6-15-12(16)9-3-4-10(13)11(7-9)19(14,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyURGJTVQSSWONHM-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.87
Rot. Bonds5

About 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide

4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide (PubChem CID 38768051) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
PubChem CID38768051
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
SMILESCC(C)CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17BrN2O3S/c1-8(2)5-6-15-12(16)9-3-4-10(13)11(7-9)19(14,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyURGJTVQSSWONHM-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103743847
4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65380192
4-methyl-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729503
3-bromo-2-methyl-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 81487869
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
4-fluoro-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729437
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide (CID 38768051) is 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide is CC(C)CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide?
The InChIKey is URGJTVQSSWONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-8(2)5-6-15-12(16)9-3-4-10(13)11(7-9)19(14,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide?
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide has a molecular weight of 349.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 38768051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).