1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide

C10H14BrN3O3S — CID 61129030

IUPAC1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C10H14BrN3O3S/c11-7-4-9(13-5-7)10(15)14-3-1-2-8(6-14)18(12,16)17/h4-5,8,13H,1-3,6H2,(H2,12,16,17)
InChIKeyQYQPMSBTVSWQCF-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide

1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide (PubChem CID 61129030) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
PubChem CID61129030
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C10H14BrN3O3S/c11-7-4-9(13-5-7)10(15)14-3-1-2-8(6-14)18(12,16)17/h4-5,8,13H,1-3,6H2,(H2,12,16,17)
InChIKeyQYQPMSBTVSWQCF-UHFFFAOYSA-N
XLogP0.67
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372670
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-sulfonamide
CID 61128657
(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 54878215
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 32978533
3-nitro-5-(3-sulfamoylpiperidine-1-carbonyl)benzoic acid
CID 155962765
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775240
(3R)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366066
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
CID 81483715
(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366065
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95376910
(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47268425

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide (CID 61129030) is 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)c2cc(Br)c[nH]2)C1.
What is the InChIKey of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide?
The InChIKey is QYQPMSBTVSWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c11-7-4-9(13-5-7)10(15)14-3-1-2-8(6-14)18(12,16)17/h4-5,8,13H,1-3,6H2,(H2,12,16,17).
What are the key properties of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide?
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide has a molecular weight of 336.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 61129030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).