N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide

C11H15FN4O3S — CID 61131305

IUPACN-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESNS(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C11H15FN4O3S/c12-9-2-1-3-10(8-9)14-11(17)15-4-6-16(7-5-15)20(13,18)19/h1-3,8H,4-7H2,(H,14,17)(H2,13,18,19)
InChIKeyMNNZIMNNTCOFGF-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.18
Rot. Bonds2

About N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide

N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 61131305) has the molecular formula C11H15FN4O3S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
PubChem CID61131305
Molecular FormulaC11H15FN4O3S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC NameN-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESNS(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C11H15FN4O3S/c12-9-2-1-3-10(8-9)14-11(17)15-4-6-16(7-5-15)20(13,18)19/h1-3,8H,4-7H2,(H,14,17)(H2,13,18,19)
InChIKeyMNNZIMNNTCOFGF-UHFFFAOYSA-N
XLogP0.18
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 136571741
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
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3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
CID 173123175
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
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CID 63338979

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide (CID 61131305) is N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide is NS(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is MNNZIMNNTCOFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3S/c12-9-2-1-3-10(8-9)14-11(17)15-4-6-16(7-5-15)20(13,18)19/h1-3,8H,4-7H2,(H,14,17)(H2,13,18,19).
What are the key properties of N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide?
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 61131305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).