N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide

C19H20N8O2S — CID 170649807

IUPACN-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide
SMILESCC(C)Nc1ccc(NS(=O)(=O)c2cccnc2)c(Nc2ccc3n[nH]nc3c2)n1
InChIInChI=1S/C19H20N8O2S/c1-12(2)21-18-8-7-16(26-30(28,29)14-4-3-9-20-11-14)19(23-18)22-13-5-6-15-17(10-13)25-27-24-15/h3-12,26H,1-2H3,(H2,21,22,23)(H,24,25,27)
InChIKeyGIQFGXCIEYSDHW-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide

N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 170649807) has the molecular formula C19H20N8O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID170649807
Molecular FormulaC19H20N8O2S
Molecular Weight424.49 g/mol
Exact Mass424.14
IUPAC NameN-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide
SMILESCC(C)Nc1ccc(NS(=O)(=O)c2cccnc2)c(Nc2ccc3n[nH]nc3c2)n1
InChIInChI=1S/C19H20N8O2S/c1-12(2)21-18-8-7-16(26-30(28,29)14-4-3-9-20-11-14)19(23-18)22-13-5-6-15-17(10-13)25-27-24-15/h3-12,26H,1-2H3,(H2,21,22,23)(H,24,25,27)
InChIKeyGIQFGXCIEYSDHW-UHFFFAOYSA-N
XLogP3.11
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide (CID 170649807) is N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide is CC(C)Nc1ccc(NS(=O)(=O)c2cccnc2)c(Nc2ccc3n[nH]nc3c2)n1.
What is the InChIKey of N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is GIQFGXCIEYSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2S/c1-12(2)21-18-8-7-16(26-30(28,29)14-4-3-9-20-11-14)19(23-18)22-13-5-6-15-17(10-13)25-27-24-15/h3-12,26H,1-2H3,(H2,21,22,23)(H,24,25,27).
What are the key properties of N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide?
N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 424.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-benzotriazol-5-ylamino)-6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 170649807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).