5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide

C13H19BrN2O3S — CID 65373125

IUPAC5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
SMILESCCC(CC)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19BrN2O3S/c1-4-10(5-2)16-13(17)11-6-9(14)7-12(8(11)3)20(15,18)19/h6-7,10H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyFMPPCMWHLMTZGO-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.32
Rot. Bonds5

About 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide

5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide (PubChem CID 65373125) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
PubChem CID65373125
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
SMILESCCC(CC)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19BrN2O3S/c1-4-10(5-2)16-13(17)11-6-9(14)7-12(8(11)3)20(15,18)19/h6-7,10H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyFMPPCMWHLMTZGO-UHFFFAOYSA-N
XLogP2.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
CID 81479852
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-methyl-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368840

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide (CID 65373125) is 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide is CCC(CC)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide?
The InChIKey is FMPPCMWHLMTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-4-10(5-2)16-13(17)11-6-9(14)7-12(8(11)3)20(15,18)19/h6-7,10H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide has a molecular weight of 363.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide is sourced from PubChem (CID 65373125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).