N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide

C18H21N3O4S — CID 41470534

IUPACN-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(=O)c1c[nH]c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)14-11-17(19-12-14)18(23)21-9-7-15(8-10-21)20-26(24,25)16-5-3-2-4-6-16/h2-6,11-12,15,19-20H,7-10H2,1H3
InChIKeyHIAAOEATOQIRTD-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.80
Rot. Bonds5

About N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 41470534) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID41470534
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(=O)c1c[nH]c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)14-11-17(19-12-14)18(23)21-9-7-15(8-10-21)20-26(24,25)16-5-3-2-4-6-16/h2-6,11-12,15,19-20H,7-10H2,1H3
InChIKeyHIAAOEATOQIRTD-UHFFFAOYSA-N
XLogP1.80
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 54878244
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 51126331
N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55731324
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 41470534) is N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide is CC(=O)c1c[nH]c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is HIAAOEATOQIRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)14-11-17(19-12-14)18(23)21-9-7-15(8-10-21)20-26(24,25)16-5-3-2-4-6-16/h2-6,11-12,15,19-20H,7-10H2,1H3.
What are the key properties of N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 41470534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).