7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride

C15H23ClF3N3O3S — CID 119692432

IUPAC7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N3O3S.ClH/c16-15(17,18)11-20-25(23,24)13-8-6-12(7-9-13)21-14(22)5-3-1-2-4-10-19;/h6-9,20H,1-5,10-11,19H2,(H,21,22);1H
InChIKeyRZMPXRSZXDQXLT-UHFFFAOYSA-N
MW417.88 g/mol
LogP2.80
Rot. Bonds10

About 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride

7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride (PubChem CID 119692432) has the molecular formula C15H23ClF3N3O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
PubChem CID119692432
Molecular FormulaC15H23ClF3N3O3S
Molecular Weight417.88 g/mol
Exact Mass417.11
IUPAC Name7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N3O3S.ClH/c16-15(17,18)11-20-25(23,24)13-8-6-12(7-9-13)21-14(22)5-3-1-2-4-10-19;/h6-9,20H,1-5,10-11,19H2,(H,21,22);1H
InChIKeyRZMPXRSZXDQXLT-UHFFFAOYSA-N
XLogP2.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 52.80
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-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
4-(7-aminoheptanoylamino)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726154
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride (CID 119692432) is 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride?
The InChIKey is RZMPXRSZXDQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S.ClH/c16-15(17,18)11-20-25(23,24)13-8-6-12(7-9-13)21-14(22)5-3-1-2-4-10-19;/h6-9,20H,1-5,10-11,19H2,(H,21,22);1H.
What are the key properties of 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride has a molecular weight of 417.88 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119692432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).