(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide

C16H15N3O2S — CID 90481083

IUPAC(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide
SMILESCn1nc(NS(=O)(=O)/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N3O2S/c1-19-15-10-6-5-9-14(15)16(17-19)18-22(20,21)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H,17,18)/b12-11+
InChIKeyVQSMJIMUUHEOHX-VAWYXSNFSA-N
MW313.38 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide

(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide (PubChem CID 90481083) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide
PubChem CID90481083
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide
SMILESCn1nc(NS(=O)(=O)/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N3O2S/c1-19-15-10-6-5-9-14(15)16(17-19)18-22(20,21)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H,17,18)/b12-11+
InChIKeyVQSMJIMUUHEOHX-VAWYXSNFSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide (CID 90481083) is (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide is Cn1nc(NS(=O)(=O)/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide?
The InChIKey is VQSMJIMUUHEOHX-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19-15-10-6-5-9-14(15)16(17-19)18-22(20,21)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H,17,18)/b12-11+.
What are the key properties of (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide?
(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 90481083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).