3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H10F3N9O2S — CID 118266367

IUPAC3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cncc2[nH]1
InChIInChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-20-4-8-10(6)22-13(18)21-8)9(11(7)29(19,27)28)12-23-25-26-24-12/h1-4H,(H3,18,21,22)(H2,19,27,28)(H,23,24,25,26)
InChIKeyLRIDIAGCBNSRNV-UHFFFAOYSA-N
MW425.36 g/mol
LogP1.05
Rot. Bonds3

About 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266367) has the molecular formula C14H10F3N9O2S and a molecular weight of 425.36 g/mol. Its IUPAC name is 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266367
Molecular FormulaC14H10F3N9O2S
Molecular Weight425.36 g/mol
Exact Mass425.06
IUPAC Name3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cncc2[nH]1
InChIInChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-20-4-8-10(6)22-13(18)21-8)9(11(7)29(19,27)28)12-23-25-26-24-12/h1-4H,(H3,18,21,22)(H2,19,27,28)(H,23,24,25,26)
InChIKeyLRIDIAGCBNSRNV-UHFFFAOYSA-N
XLogP1.05
TPSA182.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266367) is 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cncc2[nH]1.
What is the InChIKey of 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LRIDIAGCBNSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-20-4-8-10(6)22-13(18)21-8)9(11(7)29(19,27)28)12-23-25-26-24-12/h1-4H,(H3,18,21,22)(H2,19,27,28)(H,23,24,25,26).
What are the key properties of 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 425.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3H-imidazo[4,5-c]pyridin-7-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).