2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H13F3N6O3S — CID 51126990

IUPAC2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H13F3N6O3S/c1-20(6-11(22)16-7-12(13,14)15)25(23,24)10-4-2-3-9(5-10)21-8-17-18-19-21/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKeyXRAUGSRADPYFJP-UHFFFAOYSA-N
MW378.34 g/mol
LogP-0.04
Rot. Bonds6

About 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51126990) has the molecular formula C12H13F3N6O3S and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51126990
Molecular FormulaC12H13F3N6O3S
Molecular Weight378.34 g/mol
Exact Mass378.07
IUPAC Name2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H13F3N6O3S/c1-20(6-11(22)16-7-12(13,14)15)25(23,24)10-4-2-3-9(5-10)21-8-17-18-19-21/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKeyXRAUGSRADPYFJP-UHFFFAOYSA-N
XLogP-0.04
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854844
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
3-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52700082
3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 60951771
4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide
CID 78793725
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 51126990) is 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XRAUGSRADPYFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O3S/c1-20(6-11(22)16-7-12(13,14)15)25(23,24)10-4-2-3-9(5-10)21-8-17-18-19-21/h2-5,8H,6-7H2,1H3,(H,16,22).
What are the key properties of 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 378.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51126990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).