N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide

C20H19ClN2O5S2 — CID 25391427

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c(C)c1
InChIInChI=1S/C20H19ClN2O5S2/c1-13-6-9-20(14(2)10-13)30(27,28)23-18-12-17(7-8-19(18)24)29(25,26)22-16-5-3-4-15(21)11-16/h3-12,22-24H,1-2H3
InChIKeyYUURASIOJVMXRG-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.26
Rot. Bonds6

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 25391427) has the molecular formula C20H19ClN2O5S2 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID25391427
Molecular FormulaC20H19ClN2O5S2
Molecular Weight466.97 g/mol
Exact Mass466.04
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c(C)c1
InChIInChI=1S/C20H19ClN2O5S2/c1-13-6-9-20(14(2)10-13)30(27,28)23-18-12-17(7-8-19(18)24)29(25,26)22-16-5-3-4-15(21)11-16/h3-12,22-24H,1-2H3
InChIKeyYUURASIOJVMXRG-UHFFFAOYSA-N
XLogP4.26
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,6-difluorobenzenesulfonamide
CID 29424831
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27689934
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 82722720
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
CID 79822200

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide (CID 25391427) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c(C)c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is YUURASIOJVMXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S2/c1-13-6-9-20(14(2)10-13)30(27,28)23-18-12-17(7-8-19(18)24)29(25,26)22-16-5-3-4-15(21)11-16/h3-12,22-24H,1-2H3.
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 466.97 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 25391427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).