3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C14H18F3N3O3S — CID 120582622

IUPAC3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESNC(CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)8-19-13(21)10-2-1-3-11(6-10)24(22,23)20-7-12(18)9-4-5-9/h1-3,6,9,12,20H,4-5,7-8,18H2,(H,19,21)
InChIKeyDWIYSHVZYXBBFA-UHFFFAOYSA-N
MW365.38 g/mol
LogP0.99
Rot. Bonds7

About 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 120582622) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID120582622
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESNC(CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)8-19-13(21)10-2-1-3-11(6-10)24(22,23)20-7-12(18)9-4-5-9/h1-3,6,9,12,20H,4-5,7-8,18H2,(H,19,21)
InChIKeyDWIYSHVZYXBBFA-UHFFFAOYSA-N
XLogP0.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119987032
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896287
3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119983448
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 120582622) is 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is NC(CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CC1.
What is the InChIKey of 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DWIYSHVZYXBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c15-14(16,17)8-19-13(21)10-2-1-3-11(6-10)24(22,23)20-7-12(18)9-4-5-9/h1-3,6,9,12,20H,4-5,7-8,18H2,(H,19,21).
What are the key properties of 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 365.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 120582622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).