4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C10H14BrN3O3S — CID 99837354

IUPAC4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H14BrN3O3S/c1-13-7-8(11)6-9(13)10(15)12-18(16,17)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyMKNHFLGAXLYULT-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.86
Rot. Bonds3

About 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 99837354) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID99837354
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H14BrN3O3S/c1-13-7-8(11)6-9(13)10(15)12-18(16,17)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyMKNHFLGAXLYULT-UHFFFAOYSA-N
XLogP0.86
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
CID 115279131
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
CID 118100925
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
CID 61229345
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
1-[4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43411268
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
N'-(adamantane-2-carbonyl)-4-bromo-1-methylpyrrole-2-carbohydrazide
CID 51313858
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
methyl 4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazine-1-carboxylate
CID 54916661
N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide
CID 75514495

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 99837354) is 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NS(=O)(=O)N1CCCC1.
What is the InChIKey of 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is MKNHFLGAXLYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-13-7-8(11)6-9(13)10(15)12-18(16,17)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 99837354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).