N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate

C13H17N4O5S2- — CID 23117153

IUPACN-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate
SMILESNS(=O)(=O)n1nc(C2CCCCC2)c2ccc(NS(=O)(=O)[O-])cc21
InChIInChI=1S/C13H18N4O5S2/c14-23(18,19)17-12-8-10(16-24(20,21)22)6-7-11(12)13(15-17)9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H2,14,18,19)(H,20,21,22)/p-1
InChIKeyBWSIFXNQQSTOCJ-UHFFFAOYSA-M
MW373.44 g/mol
LogP1.01
Rot. Bonds4

About N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate

N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate (PubChem CID 23117153) has the molecular formula C13H17N4O5S2- and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate
PubChem CID23117153
Molecular FormulaC13H17N4O5S2-
Molecular Weight373.44 g/mol
Exact Mass373.06
IUPAC NameN-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate
SMILESNS(=O)(=O)n1nc(C2CCCCC2)c2ccc(NS(=O)(=O)[O-])cc21
InChIInChI=1S/C13H18N4O5S2/c14-23(18,19)17-12-8-10(16-24(20,21)22)6-7-11(12)13(15-17)9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H2,14,18,19)(H,20,21,22)/p-1
InChIKeyBWSIFXNQQSTOCJ-UHFFFAOYSA-M
XLogP1.01
TPSA147.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate?
The IUPAC name of N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate (CID 23117153) is N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate.
What is the SMILES notation for N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate?
The canonical SMILES for N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate is NS(=O)(=O)n1nc(C2CCCCC2)c2ccc(NS(=O)(=O)[O-])cc21.
What is the InChIKey of N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate?
The InChIKey is BWSIFXNQQSTOCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N4O5S2/c14-23(18,19)17-12-8-10(16-24(20,21)22)6-7-11(12)13(15-17)9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H2,14,18,19)(H,20,21,22)/p-1.
What are the key properties of N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate?
N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate has a molecular weight of 373.44 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-sulfamoylindazol-6-yl)sulfamate is sourced from PubChem (CID 23117153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).