4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide

C16H24N4O4S — CID 119864415

IUPAC4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC(O)CN3)c2)CC1
InChIInChI=1S/C16H24N4O4S/c1-19-5-7-20(8-6-19)25(23,24)14-4-2-3-12(9-14)18-16(22)15-10-13(21)11-17-15/h2-4,9,13,15,17,21H,5-8,10-11H2,1H3,(H,18,22)
InChIKeyXQAMIBNGSMTRQY-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.72
Rot. Bonds4

About 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide (PubChem CID 119864415) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
PubChem CID119864415
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC(O)CN3)c2)CC1
InChIInChI=1S/C16H24N4O4S/c1-19-5-7-20(8-6-19)25(23,24)14-4-2-3-12(9-14)18-16(22)15-10-13(21)11-17-15/h2-4,9,13,15,17,21H,5-8,10-11H2,1H3,(H,18,22)
InChIKeyXQAMIBNGSMTRQY-UHFFFAOYSA-N
XLogP-0.72
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide (CID 119864415) is 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC(O)CN3)c2)CC1.
What is the InChIKey of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide?
The InChIKey is XQAMIBNGSMTRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-19-5-7-20(8-6-19)25(23,24)14-4-2-3-12(9-14)18-16(22)15-10-13(21)11-17-15/h2-4,9,13,15,17,21H,5-8,10-11H2,1H3,(H,18,22).
What are the key properties of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119864415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).