3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide

C14H19BrN2O3S — CID 107420186

IUPAC3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
SMILESCC1CCCC1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H19BrN2O3S/c1-9-3-2-4-10(9)8-17-14(18)11-5-12(15)7-13(6-11)21(16,19)20/h5-7,9-10H,2-4,8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyAWGOCYVCWGPMCS-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.26
Rot. Bonds4

About 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide

3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide (PubChem CID 107420186) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
PubChem CID107420186
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
SMILESCC1CCCC1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H19BrN2O3S/c1-9-3-2-4-10(9)8-17-14(18)11-5-12(15)7-13(6-11)21(16,19)20/h5-7,9-10H,2-4,8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyAWGOCYVCWGPMCS-UHFFFAOYSA-N
XLogP2.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107414855
4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
CID 107421023
3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65375571
3-bromo-N-(2-methylprop-2-enyl)-5-sulfamoylbenzamide
CID 114618251
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-(ethylamino)-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide (CID 107420186) is 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide is CC1CCCC1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide?
The InChIKey is AWGOCYVCWGPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-9-3-2-4-10(9)8-17-14(18)11-5-12(15)7-13(6-11)21(16,19)20/h5-7,9-10H,2-4,8H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide?
3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 107420186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).