N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

C17H12ClN5O2S — CID 164624305

IUPACN-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc3cn[nH]c3cn2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H12ClN5O2S/c18-17-15(23-26(24,25)13-4-2-1-3-5-13)7-11(8-20-17)14-6-12-9-21-22-16(12)10-19-14/h1-10,23H,(H,21,22)
InChIKeyWQFCORFQILRTCQ-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.47
Rot. Bonds4

About N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164624305) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164624305
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC NameN-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc3cn[nH]c3cn2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H12ClN5O2S/c18-17-15(23-26(24,25)13-4-2-1-3-5-13)7-11(8-20-17)14-6-12-9-21-22-16(12)10-19-14/h1-10,23H,(H,21,22)
InChIKeyWQFCORFQILRTCQ-UHFFFAOYSA-N
XLogP3.47
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-Chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 141461656
N-[2-chloro-5-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461667
N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461669
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
CID 25127876
N-[2-chloro-5-(4-pyrrolidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 164608868
4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
5-(4-Chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine
CID 24865068
5-[(5-Chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865786
4-Cyclopropyl-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c][1,5]naphthyridine
CID 24866175
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
3-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253646

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 164624305) is N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cc3cn[nH]c3cn2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is WQFCORFQILRTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-17-15(23-26(24,25)13-4-2-1-3-5-13)7-11(8-20-17)14-6-12-9-21-22-16(12)10-19-14/h1-10,23H,(H,21,22).
What are the key properties of N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 385.84 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164624305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).