1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea

C15H14N4O3S — CID 14763043

IUPAC1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C15H14N4O3S/c1-10-2-5-13(6-3-10)23(21,22)19-15(20)17-12-4-7-14-11(8-12)9-16-18-14/h2-9H,1H3,(H,16,18)(H2,17,19,20)
InChIKeyVXOZWANCZXZCBI-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.38
Rot. Bonds3

About 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea

1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 14763043) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea
PubChem CID14763043
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C15H14N4O3S/c1-10-2-5-13(6-3-10)23(21,22)19-15(20)17-12-4-7-14-11(8-12)9-16-18-14/h2-9H,1H3,(H,16,18)(H2,17,19,20)
InChIKeyVXOZWANCZXZCBI-UHFFFAOYSA-N
XLogP2.38
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea (CID 14763043) is 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is VXOZWANCZXZCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-10-2-5-13(6-3-10)23(21,22)19-15(20)17-12-4-7-14-11(8-12)9-16-18-14/h2-9H,1H3,(H,16,18)(H2,17,19,20).
What are the key properties of 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea?
1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 330.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 14763043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).