5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride

C13H19BrClN3O3S — CID 119512294

IUPAC5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)cc(Br)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H18BrN3O3S.ClH/c1-8-11(5-9(14)6-12(8)21(15,19)20)13(18)17-7-10-3-2-4-16-10;/h5-6,10,16H,2-4,7H2,1H3,(H,17,18)(H2,15,19,20);1H
InChIKeyFQEQHOYKTWHHCK-UHFFFAOYSA-N
MW412.74 g/mol
LogP1.31
Rot. Bonds4

About 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride

5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride (PubChem CID 119512294) has the molecular formula C13H19BrClN3O3S and a molecular weight of 412.74 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
PubChem CID119512294
Molecular FormulaC13H19BrClN3O3S
Molecular Weight412.74 g/mol
Exact Mass411.00
IUPAC Name5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCN2)cc(Br)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H18BrN3O3S.ClH/c1-8-11(5-9(14)6-12(8)21(15,19)20)13(18)17-7-10-3-2-4-16-10;/h5-6,10,16H,2-4,7H2,1H3,(H,17,18)(H2,15,19,20);1H
InChIKeyFQEQHOYKTWHHCK-UHFFFAOYSA-N
XLogP1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.74
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65375922
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5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
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2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
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5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119509944
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
N-(pyrrolidin-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 119510332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride (CID 119512294) is 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride is Cc1c(C(=O)NCC2CCCN2)cc(Br)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride?
The InChIKey is FQEQHOYKTWHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S.ClH/c1-8-11(5-9(14)6-12(8)21(15,19)20)13(18)17-7-10-3-2-4-16-10;/h5-6,10,16H,2-4,7H2,1H3,(H,17,18)(H2,15,19,20);1H.
What are the key properties of 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride?
5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride has a molecular weight of 412.74 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 119512294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).