4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide

C15H14ClN5O4S2 — CID 134367193

IUPAC4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide
SMILESNc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CS(=O)(=O)C4)cc3Cl)nc12
InChIInChI=1S/C15H14ClN5O4S2/c16-11-5-9(27(24,25)21-8-6-26(22,23)7-8)1-2-10(11)12-3-4-13-14(18-12)15(17)20-19-13/h1-5,8,21H,6-7H2,(H3,17,19,20)
InChIKeySVYAUNVHLYGSBZ-UHFFFAOYSA-N
MW427.90 g/mol
LogP0.94
Rot. Bonds4

About 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide

4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide (PubChem CID 134367193) has the molecular formula C15H14ClN5O4S2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide
PubChem CID134367193
Molecular FormulaC15H14ClN5O4S2
Molecular Weight427.90 g/mol
Exact Mass427.02
IUPAC Name4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide
SMILESNc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CS(=O)(=O)C4)cc3Cl)nc12
InChIInChI=1S/C15H14ClN5O4S2/c16-11-5-9(27(24,25)21-8-6-26(22,23)7-8)1-2-10(11)12-3-4-13-14(18-12)15(17)20-19-13/h1-5,8,21H,6-7H2,(H3,17,19,20)
InChIKeySVYAUNVHLYGSBZ-UHFFFAOYSA-N
XLogP0.94
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide (CID 134367193) is 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide is Nc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CS(=O)(=O)C4)cc3Cl)nc12.
What is the InChIKey of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide?
The InChIKey is SVYAUNVHLYGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O4S2/c16-11-5-9(27(24,25)21-8-6-26(22,23)7-8)1-2-10(11)12-3-4-13-14(18-12)15(17)20-19-13/h1-5,8,21H,6-7H2,(H3,17,19,20).
What are the key properties of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide?
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide has a molecular weight of 427.90 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide is sourced from PubChem (CID 134367193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).