3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide

C15H21N5O3S — CID 3191968

IUPAC3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1-n1cnnn1
InChIInChI=1S/C15H21N5O3S/c1-11-5-3-4-6-13(11)17-24(21,22)12-7-8-14(15(9-12)23-2)20-10-16-18-19-20/h7-11,13,17H,3-6H2,1-2H3
InChIKeyUQRHUCJKUSNBND-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.53
Rot. Bonds5

About 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide

3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 3191968) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID3191968
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1-n1cnnn1
InChIInChI=1S/C15H21N5O3S/c1-11-5-3-4-6-13(11)17-24(21,22)12-7-8-14(15(9-12)23-2)20-10-16-18-19-20/h7-11,13,17H,3-6H2,1-2H3
InChIKeyUQRHUCJKUSNBND-UHFFFAOYSA-N
XLogP1.53
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide (CID 3191968) is 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCC2C)ccc1-n1cnnn1.
What is the InChIKey of 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is UQRHUCJKUSNBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-5-3-4-6-13(11)17-24(21,22)12-7-8-14(15(9-12)23-2)20-10-16-18-19-20/h7-11,13,17H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide?
3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylcyclohexyl)-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 3191968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).