N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine

C10H10F3N5O2S — CID 1476912

IUPACN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine
SMILESCN(C)c1nnnn1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5O2S/c1-17(2)9-14-15-16-18(9)21(19,20)8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3
InChIKeyPFNFAOCKULSEGP-UHFFFAOYSA-N
MW321.28 g/mol
LogP0.99
Rot. Bonds3

About N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine

N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine (PubChem CID 1476912) has the molecular formula C10H10F3N5O2S and a molecular weight of 321.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine
PubChem CID1476912
Molecular FormulaC10H10F3N5O2S
Molecular Weight321.28 g/mol
Exact Mass321.05
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine
SMILESCN(C)c1nnnn1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5O2S/c1-17(2)9-14-15-16-18(9)21(19,20)8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3
InChIKeyPFNFAOCKULSEGP-UHFFFAOYSA-N
XLogP0.99
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine (CID 1476912) is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine is CN(C)c1nnnn1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine?
The InChIKey is PFNFAOCKULSEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2S/c1-17(2)9-14-15-16-18(9)21(19,20)8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine?
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine has a molecular weight of 321.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyltetrazol-5-amine is sourced from PubChem (CID 1476912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).