3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C15H21F3N4O3S — CID 120811151

IUPAC3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C15H21F3N4O3S/c16-15(17,18)13(22-6-4-20-5-7-22)9-21-14(23)12-3-1-2-11(8-12)10-26(19,24)25/h1-3,8,13,20H,4-7,9-10H2,(H,21,23)(H2,19,24,25)
InChIKeyVWANMQKPKDQCMV-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.04
Rot. Bonds6

About 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120811151) has the molecular formula C15H21F3N4O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120811151
Molecular FormulaC15H21F3N4O3S
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Name3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C15H21F3N4O3S/c16-15(17,18)13(22-6-4-20-5-7-22)9-21-14(23)12-3-1-2-11(8-12)10-26(19,24)25/h1-3,8,13,20H,4-7,9-10H2,(H,21,23)(H2,19,24,25)
InChIKeyVWANMQKPKDQCMV-UHFFFAOYSA-N
XLogP0.04
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 120810745
3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812584
3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812787
3-(carbamoylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813798
3-phenoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811762
3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812115
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
3-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 120813520
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120812658

Frequently Asked Questions

What is the IUPAC name of 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120811151) is 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is NS(=O)(=O)Cc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1.
What is the InChIKey of 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is VWANMQKPKDQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3S/c16-15(17,18)13(22-6-4-20-5-7-22)9-21-14(23)12-3-1-2-11(8-12)10-26(19,24)25/h1-3,8,13,20H,4-7,9-10H2,(H,21,23)(H2,19,24,25).
What are the key properties of 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 394.42 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120811151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).