1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea

C16H17N5O3S — CID 174717823

IUPAC1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea
SMILESCc1c2ccc(N(C(N)=O)c3ccc(S(N)(=O)=O)cc3)cc2nn1C
InChIInChI=1S/C16H17N5O3S/c1-10-14-8-5-12(9-15(14)19-20(10)2)21(16(17)22)11-3-6-13(7-4-11)25(18,23)24/h3-9H,1-2H3,(H2,17,22)(H2,18,23,24)
InChIKeyMVRASLTZEUNKBT-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea

1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea (PubChem CID 174717823) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea
PubChem CID174717823
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea
SMILESCc1c2ccc(N(C(N)=O)c3ccc(S(N)(=O)=O)cc3)cc2nn1C
InChIInChI=1S/C16H17N5O3S/c1-10-14-8-5-12(9-15(14)19-20(10)2)21(16(17)22)11-3-6-13(7-4-11)25(18,23)24/h3-9H,1-2H3,(H2,17,22)(H2,18,23,24)
InChIKeyMVRASLTZEUNKBT-UHFFFAOYSA-N
XLogP1.75
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea (CID 174717823) is 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea is Cc1c2ccc(N(C(N)=O)c3ccc(S(N)(=O)=O)cc3)cc2nn1C.
What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea?
The InChIKey is MVRASLTZEUNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10-14-8-5-12(9-15(14)19-20(10)2)21(16(17)22)11-3-6-13(7-4-11)25(18,23)24/h3-9H,1-2H3,(H2,17,22)(H2,18,23,24).
What are the key properties of 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea?
1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea has a molecular weight of 359.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 174717823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).