5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C17H21ClN4O3S — CID 129326323

IUPAC5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C17H21ClN4O3S/c1-10(2)16-19-17-13(4-3-6-22(17)20-16)21-26(23,24)14-9-12(18)8-11-5-7-25-15(11)14/h8-10,13,21H,3-7H2,1-2H3/t13-/m0/s1
InChIKeyIWBOSSKRWCNFRQ-ZDUSSCGKSA-N
MW396.90 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 129326323) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID129326323
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C17H21ClN4O3S/c1-10(2)16-19-17-13(4-3-6-22(17)20-16)21-26(23,24)14-9-12(18)8-11-5-7-25-15(11)14/h8-10,13,21H,3-7H2,1-2H3/t13-/m0/s1
InChIKeyIWBOSSKRWCNFRQ-ZDUSSCGKSA-N
XLogP2.80
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 129326323) is 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide is CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is IWBOSSKRWCNFRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-10(2)16-19-17-13(4-3-6-22(17)20-16)21-26(23,24)14-9-12(18)8-11-5-7-25-15(11)14/h8-10,13,21H,3-7H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 396.90 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 129326323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).