4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid

C30H28ClNO6S — CID 126480868

IUPAC4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESCc1cc(Oc2ccc(N(C3CCCC3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl
InChIInChI=1S/C30H28ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h5-6,9-17,20,33H,3-4,7-8H2,1-2H3,(H,34,35)
InChIKeyIRSQYCCYZFYUNG-UHFFFAOYSA-N
MW566.08 g/mol
LogP7.44
Rot. Bonds7

About 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid

4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 126480868) has the molecular formula C30H28ClNO6S and a molecular weight of 566.08 g/mol. Its IUPAC name is 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID126480868
Molecular FormulaC30H28ClNO6S
Molecular Weight566.08 g/mol
Exact Mass565.13
IUPAC Name4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
SMILESCc1cc(Oc2ccc(N(C3CCCC3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl
InChIInChI=1S/C30H28ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h5-6,9-17,20,33H,3-4,7-8H2,1-2H3,(H,34,35)
InChIKeyIRSQYCCYZFYUNG-UHFFFAOYSA-N
XLogP7.44
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.08
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[Benzyl-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480728
4-[[4-(4-Chloro-3,5-dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480736
1-Hydroxy-4-[2-methylpropyl-(4-propan-2-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
CID 126480749
4-(N-benzyl-4-(4-chloro-3,5-dimethylphenoxy) phenyl-sulfonamido)-2-hydroxybenzoic acid
CID 126480755
5-(4-(4-chloro-3,5-dimethylphenoxy)-N-isobutylphenyl-sulfonamido)-2-hydroxybenzoic acid
CID 126480766
4-[[4-(3,5-Dimethylphenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480788
4-[[4-(4-Chlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480791
4-[[4-(4-Chloro-3,5-dimethylphenoxy)phenyl]-(2-methylpropyl)sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480820
1-Hydroxy-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]naphthalene-2-carboxylic acid
CID 126480822
4-[[4-(2,4-Dichlorophenoxy)phenyl]sulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 126480823
1-Hydroxy-4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
CID 126480874
1-Hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
CID 126480875

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid (CID 126480868) is 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is Cc1cc(Oc2ccc(N(C3CCCC3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl.
What is the InChIKey of 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is IRSQYCCYZFYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h5-6,9-17,20,33H,3-4,7-8H2,1-2H3,(H,34,35).
What are the key properties of 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid?
4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 566.08 g/mol, XLogP of 7.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-cyclopentylsulfamoyl]-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 126480868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).