1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide

C17H25N3O2S — CID 127914963

IUPAC1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide
SMILESCn1nc(CCNS(=O)(=O)CC2CCCCC2)c2ccccc21
InChIInChI=1S/C17H25N3O2S/c1-20-17-10-6-5-9-15(17)16(19-20)11-12-18-23(21,22)13-14-7-3-2-4-8-14/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyNAIZYCLBFUBXQY-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.62
Rot. Bonds6

About 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide

1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide (PubChem CID 127914963) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide
PubChem CID127914963
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide
SMILESCn1nc(CCNS(=O)(=O)CC2CCCCC2)c2ccccc21
InChIInChI=1S/C17H25N3O2S/c1-20-17-10-6-5-9-15(17)16(19-20)11-12-18-23(21,22)13-14-7-3-2-4-8-14/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyNAIZYCLBFUBXQY-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide (CID 127914963) is 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide is Cn1nc(CCNS(=O)(=O)CC2CCCCC2)c2ccccc21.
What is the InChIKey of 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is NAIZYCLBFUBXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-20-17-10-6-5-9-15(17)16(19-20)11-12-18-23(21,22)13-14-7-3-2-4-8-14/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide?
1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(1-methylindazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 127914963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).