4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C16H18N4O4S — CID 164613400

IUPAC4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1
InChIInChI=1S/C16H18N4O4S/c17-25(23,24)13-5-3-12(4-6-13)15(21)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h1-7,18H,8-11H2,(H2,17,23,24)
InChIKeyPIQOCEGSWLPJKE-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.26
Rot. Bonds3

About 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164613400) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164613400
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1
InChIInChI=1S/C16H18N4O4S/c17-25(23,24)13-5-3-12(4-6-13)15(21)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h1-7,18H,8-11H2,(H2,17,23,24)
InChIKeyPIQOCEGSWLPJKE-UHFFFAOYSA-N
XLogP0.26
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164613400) is 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is PIQOCEGSWLPJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c17-25(23,24)13-5-3-12(4-6-13)15(21)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h1-7,18H,8-11H2,(H2,17,23,24).
What are the key properties of 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164613400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).