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

C16H24N4O3S — CID 119864452

IUPACN-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCNC3)c2)CC1
InChIInChI=1S/C16H24N4O3S/c1-19-7-9-20(10-8-19)24(22,23)15-4-2-3-14(11-15)18-16(21)13-5-6-17-12-13/h2-4,11,13,17H,5-10,12H2,1H3,(H,18,21)
InChIKeyWBMBXGXBQHGRBX-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.17
Rot. Bonds4

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

N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide (PubChem CID 119864452) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
PubChem CID119864452
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCNC3)c2)CC1
InChIInChI=1S/C16H24N4O3S/c1-19-7-9-20(10-8-19)24(22,23)15-4-2-3-14(11-15)18-16(21)13-5-6-17-12-13/h2-4,11,13,17H,5-10,12H2,1H3,(H,18,21)
InChIKeyWBMBXGXBQHGRBX-UHFFFAOYSA-N
XLogP0.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347
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
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405
(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 166276779
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 119676613
(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120639924
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide (CID 119864452) is N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCNC3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide?
The InChIKey is WBMBXGXBQHGRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-19-7-9-20(10-8-19)24(22,23)15-4-2-3-14(11-15)18-16(21)13-5-6-17-12-13/h2-4,11,13,17H,5-10,12H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide?
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119864452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).