N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide

C20H20N2O5S2 — CID 70133555

IUPACN-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(O)c2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2O5S2/c1-14-6-10-16(11-7-14)28(24,25)21-18-4-3-5-19(23)20(18)22-29(26,27)17-12-8-15(2)9-13-17/h3-13,21-23H,1-2H3
InChIKeyUBFXAVJBFLLTKR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.61
Rot. Bonds6

About N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide

N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 70133555) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
PubChem CID70133555
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC NameN-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(O)c2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2O5S2/c1-14-6-10-16(11-7-14)28(24,25)21-18-4-3-5-19(23)20(18)22-29(26,27)17-12-8-15(2)9-13-17/h3-13,21-23H,1-2H3
InChIKeyUBFXAVJBFLLTKR-UHFFFAOYSA-N
XLogP3.61
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.61
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

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
CID 129188390
4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide (CID 70133555) is N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(O)c2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is UBFXAVJBFLLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-14-6-10-16(11-7-14)28(24,25)21-18-4-3-5-19(23)20(18)22-29(26,27)17-12-8-15(2)9-13-17/h3-13,21-23H,1-2H3.
What are the key properties of N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 432.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 70133555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).