4-(2H-indazol-3-ylmethylamino)benzenesulfonamide

C14H14N4O2S — CID 91547295

IUPAC4-(2H-indazol-3-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C14H14N4O2S/c15-21(19,20)11-7-5-10(6-8-11)16-9-14-12-3-1-2-4-13(12)17-18-14/h1-8,16H,9H2,(H,17,18)(H2,15,19,20)
InChIKeyCHKJBBRQUSDMTB-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.82
Rot. Bonds4

About 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide

4-(2H-indazol-3-ylmethylamino)benzenesulfonamide (PubChem CID 91547295) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2H-indazol-3-ylmethylamino)benzenesulfonamide
PubChem CID91547295
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-(2H-indazol-3-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C14H14N4O2S/c15-21(19,20)11-7-5-10(6-8-11)16-9-14-12-3-1-2-4-13(12)17-18-14/h1-8,16H,9H2,(H,17,18)(H2,15,19,20)
InChIKeyCHKJBBRQUSDMTB-UHFFFAOYSA-N
XLogP1.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide (CID 91547295) is 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2[nH]nc3ccccc23)cc1.
What is the InChIKey of 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide?
The InChIKey is CHKJBBRQUSDMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-21(19,20)11-7-5-10(6-8-11)16-9-14-12-3-1-2-4-13(12)17-18-14/h1-8,16H,9H2,(H,17,18)(H2,15,19,20).
What are the key properties of 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide?
4-(2H-indazol-3-ylmethylamino)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-indazol-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 91547295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).