(4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate

C26H24Cl2N2O7S — CID 68900588

IUPAC(4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate
SMILESO=C(Nc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC4CCC3C4)c2)c(Cl)c1)Oc1ccc(O)cc1
InChIInChI=1S/C26H24Cl2N2O7S/c27-20-11-16(29-26(33)37-18-5-3-17(31)4-6-18)12-21(28)25(20)36-19-7-8-23(32)24(13-19)38(34,35)30-22-10-14-1-2-15(22)9-14/h3-8,11-15,22,30-32H,1-2,9-10H2,(H,29,33)
InChIKeyPVLTXUMGLJBBCR-UHFFFAOYSA-N
MW579.46 g/mol
LogP6.27
Rot. Bonds7

About (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate

(4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate (PubChem CID 68900588) has the molecular formula C26H24Cl2N2O7S and a molecular weight of 579.46 g/mol. Its IUPAC name is (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate.

Molecular Properties

Compound Name(4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate
PubChem CID68900588
Molecular FormulaC26H24Cl2N2O7S
Molecular Weight579.46 g/mol
Exact Mass578.07
IUPAC Name(4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate
SMILESO=C(Nc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC4CCC3C4)c2)c(Cl)c1)Oc1ccc(O)cc1
InChIInChI=1S/C26H24Cl2N2O7S/c27-20-11-16(29-26(33)37-18-5-3-17(31)4-6-18)12-21(28)25(20)36-19-7-8-23(32)24(13-19)38(34,35)30-22-10-14-1-2-15(22)9-14/h3-8,11-15,22,30-32H,1-2,9-10H2,(H,29,33)
InChIKeyPVLTXUMGLJBBCR-UHFFFAOYSA-N
XLogP6.27
TPSA134.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.46
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060
5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-(6-methylspiro[3.3]heptan-2-yl)benzenesulfonamide
CID 161337015
2-[4-[3-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid
CID 18614239
methyl 3-[4-[3-(butylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichloroanilino]-3-oxopropanoate
CID 142657581
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704497
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989444
5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide
CID 141027231
ethyl 2-[4-[3-(cyclohexylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 54037129
N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide
CID 24785046
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate?
The IUPAC name of (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate (CID 68900588) is (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate.
What is the SMILES notation for (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate?
The canonical SMILES for (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate is O=C(Nc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC4CCC3C4)c2)c(Cl)c1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate?
The InChIKey is PVLTXUMGLJBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O7S/c27-20-11-16(29-26(33)37-18-5-3-17(31)4-6-18)12-21(28)25(20)36-19-7-8-23(32)24(13-19)38(34,35)30-22-10-14-1-2-15(22)9-14/h3-8,11-15,22,30-32H,1-2,9-10H2,(H,29,33).
What are the key properties of (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate?
(4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate has a molecular weight of 579.46 g/mol, XLogP of 6.27, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) N-[4-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichlorophenyl]carbamate is sourced from PubChem (CID 68900588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).