4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide

C20H21N5O3S — CID 56583931

IUPAC4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H21N5O3S/c26-20(22-17-5-3-6-18(15-17)23-9-1-2-10-23)24-11-13-25(14-12-24)29(27,28)19-7-4-8-21-16-19/h1-10,15-16H,11-14H2,(H,22,26)
InChIKeyWYQIHXFABVCPGE-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.41
Rot. Bonds4

About 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide

4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 56583931) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
PubChem CID56583931
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H21N5O3S/c26-20(22-17-5-3-6-18(15-17)23-9-1-2-10-23)24-11-13-25(14-12-24)29(27,28)19-7-4-8-21-16-19/h1-10,15-16H,11-14H2,(H,22,26)
InChIKeyWYQIHXFABVCPGE-UHFFFAOYSA-N
XLogP2.41
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 95786560
N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
CID 56584263
4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55738184
4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
CID 166180121
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-(benzenesulfonyl)-N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 154833894
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 56586770

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide (CID 56583931) is 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WYQIHXFABVCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-20(22-17-5-3-6-18(15-17)23-9-1-2-10-23)24-11-13-25(14-12-24)29(27,28)19-7-4-8-21-16-19/h1-10,15-16H,11-14H2,(H,22,26).
What are the key properties of 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56583931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).