(Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide

C16H15N3O2S — CID 94619632

IUPAC(Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C\S(=O)(=O)Nc2cccc3cn[nH]c23)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-5-7-13(8-6-12)9-10-22(20,21)19-15-4-2-3-14-11-17-18-16(14)15/h2-11,19H,1H3,(H,17,18)/b10-9-
InChIKeyHPGLBSWLOWBPID-KTKRTIGZSA-N
MW313.38 g/mol
LogP3.28
Rot. Bonds4

About (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide

(Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 94619632) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID94619632
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C\S(=O)(=O)Nc2cccc3cn[nH]c23)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-5-7-13(8-6-12)9-10-22(20,21)19-15-4-2-3-14-11-17-18-16(14)15/h2-11,19H,1H3,(H,17,18)/b10-9-
InChIKeyHPGLBSWLOWBPID-KTKRTIGZSA-N
XLogP3.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide (CID 94619632) is (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C\S(=O)(=O)Nc2cccc3cn[nH]c23)cc1.
What is the InChIKey of (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is HPGLBSWLOWBPID-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-5-7-13(8-6-12)9-10-22(20,21)19-15-4-2-3-14-11-17-18-16(14)15/h2-11,19H,1H3,(H,17,18)/b10-9-.
What are the key properties of (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide?
(Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1H-indazol-7-yl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 94619632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).