2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C17H24BrN3O3S — CID 56509479

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C17H24BrN3O3S/c1-20(10-11-21-8-2-3-9-21)17(22)15-12-14(6-7-16(15)18)25(23,24)19-13-4-5-13/h6-7,12-13,19H,2-5,8-11H2,1H3
InChIKeyNDIJUESBOGFYHR-UHFFFAOYSA-N
MW430.37 g/mol
LogP2.06
Rot. Bonds7

About 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 56509479) has the molecular formula C17H24BrN3O3S and a molecular weight of 430.37 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID56509479
Molecular FormulaC17H24BrN3O3S
Molecular Weight430.37 g/mol
Exact Mass429.07
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C17H24BrN3O3S/c1-20(10-11-21-8-2-3-9-21)17(22)15-12-14(6-7-16(15)18)25(23,24)19-13-4-5-13/h6-7,12-13,19H,2-5,8-11H2,1H3
InChIKeyNDIJUESBOGFYHR-UHFFFAOYSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510388
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
4-bromo-N-cyclopropyl-3-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52908654
4-bromo-N-cyclopropyl-3-[(3R)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52908652
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55654688
2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510508
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
4-bromo-N-methyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207696

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 56509479) is 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is NDIJUESBOGFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3S/c1-20(10-11-21-8-2-3-9-21)17(22)15-12-14(6-7-16(15)18)25(23,24)19-13-4-5-13/h6-7,12-13,19H,2-5,8-11H2,1H3.
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 430.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 56509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).