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

C12H18N4O4S — CID 61321561

IUPACN-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1
InChIInChI=1S/C12H18N4O4S/c1-20-11-4-2-3-10(9-11)14-12(17)15-5-7-16(8-6-15)21(13,18)19/h2-4,9H,5-8H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyINVRVAXRSDFDSZ-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.05
Rot. Bonds3

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

N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 61321561) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
PubChem CID61321561
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1
InChIInChI=1S/C12H18N4O4S/c1-20-11-4-2-3-10(9-11)14-12(17)15-5-7-16(8-6-15)21(13,18)19/h2-4,9H,5-8H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyINVRVAXRSDFDSZ-UHFFFAOYSA-N
XLogP0.05
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 136571741
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
N-(3-methoxyphenyl)-4-(2-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 55517694
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide (CID 61321561) is N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is INVRVAXRSDFDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-20-11-4-2-3-10(9-11)14-12(17)15-5-7-16(8-6-15)21(13,18)19/h2-4,9H,5-8H2,1H3,(H,14,17)(H2,13,18,19).
What are the key properties of N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 61321561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).