N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide

C10H13F2N3O3S — CID 107000097

IUPACN-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide
SMILESNCCNC(=O)c1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C10H13F2N3O3S/c11-10(12)19(17,18)15-8-4-2-1-3-7(8)9(16)14-6-5-13/h1-4,10,15H,5-6,13H2,(H,14,16)
InChIKeyICMYIWQIXFOICB-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.34
Rot. Bonds6

About N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide

N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide (PubChem CID 107000097) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide
PubChem CID107000097
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC NameN-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide
SMILESNCCNC(=O)c1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C10H13F2N3O3S/c11-10(12)19(17,18)15-8-4-2-1-3-7(8)9(16)14-6-5-13/h1-4,10,15H,5-6,13H2,(H,14,16)
InChIKeyICMYIWQIXFOICB-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119996445
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-[3-(2-methylpropylsulfonyl)propanoylamino]benzamide;hydrochloride
CID 120603370
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide (CID 107000097) is N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide is NCCNC(=O)c1ccccc1NS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide?
The InChIKey is ICMYIWQIXFOICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c11-10(12)19(17,18)15-8-4-2-1-3-7(8)9(16)14-6-5-13/h1-4,10,15H,5-6,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide?
N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide has a molecular weight of 293.30 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide is sourced from PubChem (CID 107000097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).