N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide

C18H20N4O2S — CID 22567034

IUPACN-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C1CCNCC1
InChIInChI=1S/C18H20N4O2S/c23-25(24,15-8-10-19-11-9-15)22-14-6-7-17-16(12-14)18(21-20-17)13-4-2-1-3-5-13/h1-7,12,15,19,22H,8-11H2,(H,20,21)
InChIKeyIBXPTSRLYBPVJO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.72
Rot. Bonds4

About N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide

N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide (PubChem CID 22567034) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
PubChem CID22567034
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C1CCNCC1
InChIInChI=1S/C18H20N4O2S/c23-25(24,15-8-10-19-11-9-15)22-14-6-7-17-16(12-14)18(21-20-17)13-4-2-1-3-5-13/h1-7,12,15,19,22H,8-11H2,(H,20,21)
InChIKeyIBXPTSRLYBPVJO-UHFFFAOYSA-N
XLogP2.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide?
The IUPAC name of N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide (CID 22567034) is N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide?
The canonical SMILES for N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide is O=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C1CCNCC1.
What is the InChIKey of N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide?
The InChIKey is IBXPTSRLYBPVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-25(24,15-8-10-19-11-9-15)22-14-6-7-17-16(12-14)18(21-20-17)13-4-2-1-3-5-13/h1-7,12,15,19,22H,8-11H2,(H,20,21).
What are the key properties of N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide?
N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 22567034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).