4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

C16H20ClFN4O3S — CID 120764946

IUPAC4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C16H19FN4O3S.ClH/c1-20-10-13(8-14(20)16(18)22)25(23,24)21-6-5-19-9-15(21)11-3-2-4-12(17)7-11;/h2-4,7-8,10,15,19H,5-6,9H2,1H3,(H2,18,22);1H
InChIKeySYHSJRGDGPHLSZ-UHFFFAOYSA-N
MW402.88 g/mol
LogP1.02
Rot. Bonds4

About 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride

4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 120764946) has the molecular formula C16H20ClFN4O3S and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID120764946
Molecular FormulaC16H20ClFN4O3S
Molecular Weight402.88 g/mol
Exact Mass402.09
IUPAC Name4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C16H19FN4O3S.ClH/c1-20-10-13(8-14(20)16(18)22)25(23,24)21-6-5-19-9-15(21)11-3-2-4-12(17)7-11;/h2-4,7-8,10,15,19H,5-6,9H2,1H3,(H2,18,22);1H
InChIKeySYHSJRGDGPHLSZ-UHFFFAOYSA-N
XLogP1.02
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120776924
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
methyl 1-methyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyrrole-2-carboxylate;hydrochloride
CID 120764221
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)sulfonylpiperazine
CID 120764749
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
CID 120764617
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120719214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride (CID 120764946) is 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1C(N)=O.
What is the InChIKey of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is SYHSJRGDGPHLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S.ClH/c1-20-10-13(8-14(20)16(18)22)25(23,24)21-6-5-19-9-15(21)11-3-2-4-12(17)7-11;/h2-4,7-8,10,15,19H,5-6,9H2,1H3,(H2,18,22);1H.
What are the key properties of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride?
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 402.88 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120764946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).