5-(sulfinoamino)-1H-indazole

C7H7N3O2S — CID 68877895

IUPAC5-(sulfinoamino)-1H-indazole
SMILESO=S(O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C7H7N3O2S/c11-13(12)10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)(H,11,12)
InChIKeyPRUBQDMLIXIIIN-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.11
Rot. Bonds2

About 5-(sulfinoamino)-1H-indazole

5-(sulfinoamino)-1H-indazole (PubChem CID 68877895) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-(sulfinoamino)-1H-indazole.

Molecular Properties

Compound Name5-(sulfinoamino)-1H-indazole
PubChem CID68877895
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name5-(sulfinoamino)-1H-indazole
SMILESO=S(O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C7H7N3O2S/c11-13(12)10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)(H,11,12)
InChIKeyPRUBQDMLIXIIIN-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine
CID 90421687
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
[2-(1H-indazol-5-ylsulfamoyl)phenyl]methanesulfinic acid
CID 175242993
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
2-(1H-indazol-5-ylamino)butanedioic acid
CID 21102094
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732

Frequently Asked Questions

What is the IUPAC name of 5-(sulfinoamino)-1H-indazole?
The IUPAC name of 5-(sulfinoamino)-1H-indazole (CID 68877895) is 5-(sulfinoamino)-1H-indazole.
What is the SMILES notation for 5-(sulfinoamino)-1H-indazole?
The canonical SMILES for 5-(sulfinoamino)-1H-indazole is O=S(O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(sulfinoamino)-1H-indazole?
The InChIKey is PRUBQDMLIXIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c11-13(12)10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)(H,11,12).
What are the key properties of 5-(sulfinoamino)-1H-indazole?
5-(sulfinoamino)-1H-indazole has a molecular weight of 197.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(sulfinoamino)-1H-indazole is sourced from PubChem (CID 68877895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).