2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide

C13H17BrN2O3S — CID 115769124

IUPAC2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCC1
InChIInChI=1S/C13H17BrN2O3S/c1-8(9-3-2-4-9)16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-9H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyHJYCHMLLSIYICI-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.01
Rot. Bonds4

About 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide

2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide (PubChem CID 115769124) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
PubChem CID115769124
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCC1
InChIInChI=1S/C13H17BrN2O3S/c1-8(9-3-2-4-9)16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-9H,2-4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyHJYCHMLLSIYICI-UHFFFAOYSA-N
XLogP2.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
2-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-5-sulfamoylbenzamide
CID 39681622
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 115769138
2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 115886717
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
CID 60966372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide (CID 115769124) is 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide is CC(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCC1.
What is the InChIKey of 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide?
The InChIKey is HJYCHMLLSIYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-8(9-3-2-4-9)16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-9H,2-4H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide?
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide has a molecular weight of 361.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 115769124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).