N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride

C10H13ClF2N2OS — CID 119382897

IUPACN-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C10H12F2N2OS.ClH/c11-10(12)16-8-4-2-1-3-7(8)9(15)14-6-5-13;/h1-4,10H,5-6,13H2,(H,14,15);1H
InChIKeyDUKKTLWIGJFSTP-UHFFFAOYSA-N
MW282.74 g/mol
LogP2.11
Rot. Bonds5

About N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride

N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride (PubChem CID 119382897) has the molecular formula C10H13ClF2N2OS and a molecular weight of 282.74 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
PubChem CID119382897
Molecular FormulaC10H13ClF2N2OS
Molecular Weight282.74 g/mol
Exact Mass282.04
IUPAC NameN-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C10H12F2N2OS.ClH/c11-10(12)16-8-4-2-1-3-7(8)9(15)14-6-5-13;/h1-4,10H,5-6,13H2,(H,14,15);1H
InChIKeyDUKKTLWIGJFSTP-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid
CID 43091720
2-(difluoromethylsulfanyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800613
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoate
CID 60718055
N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
CID 115594443
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone
CID 117309153
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627
N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide
CID 107000097
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanedioic acid
CID 78910261
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride (CID 119382897) is N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1SC(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride?
The InChIKey is DUKKTLWIGJFSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS.ClH/c11-10(12)16-8-4-2-1-3-7(8)9(15)14-6-5-13;/h1-4,10H,5-6,13H2,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride?
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride has a molecular weight of 282.74 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride is sourced from PubChem (CID 119382897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).