4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C13H19ClF3N3O3S — CID 119965025

IUPAC4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C13H18F3N3O3S.ClH/c1-17-7-2-8-19-23(21,22)11-5-3-10(4-6-11)12(20)18-9-13(14,15)16;/h3-6,17,19H,2,7-9H2,1H3,(H,18,20);1H
InChIKeyIBISXHNFHWYVRQ-UHFFFAOYSA-N
MW389.83 g/mol
LogP1.29
Rot. Bonds8

About 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119965025) has the molecular formula C13H19ClF3N3O3S and a molecular weight of 389.83 g/mol. Its IUPAC name is 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119965025
Molecular FormulaC13H19ClF3N3O3S
Molecular Weight389.83 g/mol
Exact Mass389.08
IUPAC Name4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C13H18F3N3O3S.ClH/c1-17-7-2-8-19-23(21,22)11-5-3-10(4-6-11)12(20)18-9-13(14,15)16;/h3-6,17,19H,2,7-9H2,1H3,(H,18,20);1H
InChIKeyIBISXHNFHWYVRQ-UHFFFAOYSA-N
XLogP1.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 38257742
4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78877934
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
N-[3-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119965107
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119980966

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119965025) is 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CNCCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.Cl.
What is the InChIKey of 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is IBISXHNFHWYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O3S.ClH/c1-17-7-2-8-19-23(21,22)11-5-3-10(4-6-11)12(20)18-9-13(14,15)16;/h3-6,17,19H,2,7-9H2,1H3,(H,18,20);1H.
What are the key properties of 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 389.83 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119965025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).