3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide

C12H15BrN2O4S — CID 65386150

IUPAC3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide
SMILESCOc1c(Br)cc(C(=O)NC2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15BrN2O4S/c1-19-11-9(13)5-7(6-10(11)20(14,17)18)12(16)15-8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyRWZJNDXFBCFNML-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.39
Rot. Bonds4

About 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide

3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide (PubChem CID 65386150) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide
PubChem CID65386150
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide
SMILESCOc1c(Br)cc(C(=O)NC2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15BrN2O4S/c1-19-11-9(13)5-7(6-10(11)20(14,17)18)12(16)15-8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyRWZJNDXFBCFNML-UHFFFAOYSA-N
XLogP1.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclobutyl-4-methyl-3-nitro-5-sulfamoylbenzamide
CID 65388451
3-bromo-5-(cyclopropylmethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65371615
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide (CID 65386150) is 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide is COc1c(Br)cc(C(=O)NC2CCC2)cc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide?
The InChIKey is RWZJNDXFBCFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-19-11-9(13)5-7(6-10(11)20(14,17)18)12(16)15-8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide?
3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide has a molecular weight of 363.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclobutyl-4-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 65386150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).