2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol

C22H27N5O4S — CID 10276156

IUPAC2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol
SMILESCc1cc(Nc2nn[nH]n2)cc(C)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C22H27N5O4S/c1-14-10-17(23-22-24-26-27-25-22)11-15(2)21(14)31-18-8-9-19(28)20(12-18)32(29,30)13-16-6-4-3-5-7-16/h8-12,16,28H,3-7,13H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyDRLDVXCBAUYVCO-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.41
Rot. Bonds7

About 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol

2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol (PubChem CID 10276156) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol
PubChem CID10276156
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol
SMILESCc1cc(Nc2nn[nH]n2)cc(C)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C22H27N5O4S/c1-14-10-17(23-22-24-26-27-25-22)11-15(2)21(14)31-18-8-9-19(28)20(12-18)32(29,30)13-16-6-4-3-5-7-16/h8-12,16,28H,3-7,13H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyDRLDVXCBAUYVCO-UHFFFAOYSA-N
XLogP4.41
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol?
The IUPAC name of 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol (CID 10276156) is 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol.
What is the SMILES notation for 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol?
The canonical SMILES for 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol is Cc1cc(Nc2nn[nH]n2)cc(C)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol?
The InChIKey is DRLDVXCBAUYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-14-10-17(23-22-24-26-27-25-22)11-15(2)21(14)31-18-8-9-19(28)20(12-18)32(29,30)13-16-6-4-3-5-7-16/h8-12,16,28H,3-7,13H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol?
2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol has a molecular weight of 457.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol is sourced from PubChem (CID 10276156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).