4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol

C21H24ClN5O4S — CID 10227534

IUPAC4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol
SMILESCc1cc(Nc2nn[nH]n2)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C21H24ClN5O4S/c1-13-9-15(23-21-24-26-27-25-21)10-17(22)20(13)31-16-7-8-18(28)19(11-16)32(29,30)12-14-5-3-2-4-6-14/h7-11,14,28H,2-6,12H2,1H3,(H2,23,24,25,26,27)
InChIKeyDAZCNDTYDGVZNT-UHFFFAOYSA-N
MW477.97 g/mol
LogP4.76
Rot. Bonds7

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

4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol (PubChem CID 10227534) has the molecular formula C21H24ClN5O4S and a molecular weight of 477.97 g/mol. Its IUPAC name is 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol.

Molecular Properties

Compound Name4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol
PubChem CID10227534
Molecular FormulaC21H24ClN5O4S
Molecular Weight477.97 g/mol
Exact Mass477.12
IUPAC Name4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol
SMILESCc1cc(Nc2nn[nH]n2)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C21H24ClN5O4S/c1-13-9-15(23-21-24-26-27-25-21)10-17(22)20(13)31-16-7-8-18(28)19(11-16)32(29,30)12-14-5-3-2-4-6-14/h7-11,14,28H,2-6,12H2,1H3,(H2,23,24,25,26,27)
InChIKeyDAZCNDTYDGVZNT-UHFFFAOYSA-N
XLogP4.76
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(cyclobutylmethylsulfonyl)-4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]phenol
CID 10162273
2-(cyclopropylmethylsulfonyl)-4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]phenol
CID 10136592
3-[3,5-dichloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]anilino]-3-oxopropanoic acid
CID 69261317
N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide
CID 18433406
3-[4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethyl-N-propan-2-ylanilino]-3-oxopropanoic acid
CID 69259072
3-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-3-methylanilino]-3-oxopropanoic acid
CID 69259534
ethyl 3-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-2-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoate
CID 69258795
3-[3-chloro-4-[3-[(4-fluorophenyl)methylsulfonyl]-4-hydroxyphenoxy]-5-methylanilino]-2-methyl-3-oxopropanoic acid
CID 10165018
3-[3-chloro-4-[3-(2-cyclopentylacetyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid
CID 69259643
5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide
CID 141027231
N-[4-(3-cyclopentylsulfonyl-4-hydroxyphenoxy)-3,5-dimethylphenyl]-2-methylpropanamide
CID 141041179
3-[3,5-dichloro-4-[3-(cyclohexylsulfamoyl)-4-hydroxyphenoxy]anilino]-3-oxopropanoic acid
CID 22344955

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol?
The IUPAC name of 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol (CID 10227534) is 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol.
What is the SMILES notation for 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol?
The canonical SMILES for 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol is Cc1cc(Nc2nn[nH]n2)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol?
The InChIKey is DAZCNDTYDGVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O4S/c1-13-9-15(23-21-24-26-27-25-21)10-17(22)20(13)31-16-7-8-18(28)19(11-16)32(29,30)12-14-5-3-2-4-6-14/h7-11,14,28H,2-6,12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol?
4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol has a molecular weight of 477.97 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-methyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(cyclohexylmethylsulfonyl)phenol is sourced from PubChem (CID 10227534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).