1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide

C15H19F2N7O3S — CID 122694484

IUPAC1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCC(F)(F)c1ccc(N2CCCC(C(N)=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C15H19F2N7O3S/c1-15(16,17)9-4-5-10(24-6-2-3-8(7-24)13(18)25)11(12(9)28(19,26)27)14-20-22-23-21-14/h4-5,8H,2-3,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22,23)
InChIKeyAVWXQLBKTZJYNK-UHFFFAOYSA-N
MW415.43 g/mol
LogP0.33
Rot. Bonds5

About 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide

1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 122694484) has the molecular formula C15H19F2N7O3S and a molecular weight of 415.43 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID122694484
Molecular FormulaC15H19F2N7O3S
Molecular Weight415.43 g/mol
Exact Mass415.12
IUPAC Name1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCC(F)(F)c1ccc(N2CCCC(C(N)=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C15H19F2N7O3S/c1-15(16,17)9-4-5-10(24-6-2-3-8(7-24)13(18)25)11(12(9)28(19,26)27)14-20-22-23-21-14/h4-5,8H,2-3,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22,23)
InChIKeyAVWXQLBKTZJYNK-UHFFFAOYSA-N
XLogP0.33
TPSA160.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 122694484) is 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide is CC(F)(F)c1ccc(N2CCCC(C(N)=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is AVWXQLBKTZJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N7O3S/c1-15(16,17)9-4-5-10(24-6-2-3-8(7-24)13(18)25)11(12(9)28(19,26)27)14-20-22-23-21-14/h4-5,8H,2-3,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22,23).
What are the key properties of 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 122694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).