4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide

C12H17BrN4O3S — CID 61040589

IUPAC4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C12H17BrN4O3S/c13-9-7-11(17(8-9)10-1-2-10)12(18)15-3-5-16(6-4-15)21(14,19)20/h7-8,10H,1-6H2,(H2,14,19,20)
InChIKeyAYDBZEYDCNROOL-UHFFFAOYSA-N
MW377.26 g/mol
LogP0.55
Rot. Bonds3

About 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide

4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 61040589) has the molecular formula C12H17BrN4O3S and a molecular weight of 377.26 g/mol. Its IUPAC name is 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
PubChem CID61040589
Molecular FormulaC12H17BrN4O3S
Molecular Weight377.26 g/mol
Exact Mass376.02
IUPAC Name4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C12H17BrN4O3S/c13-9-7-11(17(8-9)10-1-2-10)12(18)15-3-5-16(6-4-15)21(14,19)20/h7-8,10H,1-6H2,(H2,14,19,20)
InChIKeyAYDBZEYDCNROOL-UHFFFAOYSA-N
XLogP0.55
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161481
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 43640964
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
CID 103908474
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
(4-bromo-1-cyclopropylpyrrol-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576589
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
CID 54877594
(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203683

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide (CID 61040589) is 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is AYDBZEYDCNROOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O3S/c13-9-7-11(17(8-9)10-1-2-10)12(18)15-3-5-16(6-4-15)21(14,19)20/h7-8,10H,1-6H2,(H2,14,19,20).
What are the key properties of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide?
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 377.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61040589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).