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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Related Compounds

N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66610019
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N-methyl-N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110291
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
4-(azepan-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2540422
4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 10238677

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).