4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide

C24H22N2O5S2 — CID 86634478

IUPAC4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2C)c2ccccc2c1O
InChIInChI=1S/C24H22N2O5S2/c1-16-9-3-7-13-20(16)25-32(28,29)22-15-23(24(27)19-12-6-5-11-18(19)22)33(30,31)26-21-14-8-4-10-17(21)2/h3-15,25-27H,1-2H3
InChIKeyUTWALKMVMFQMGQ-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.76
Rot. Bonds6

About 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide

4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide (PubChem CID 86634478) has the molecular formula C24H22N2O5S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide.

Molecular Properties

Compound Name4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
PubChem CID86634478
Molecular FormulaC24H22N2O5S2
Molecular Weight482.58 g/mol
Exact Mass482.10
IUPAC Name4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2C)c2ccccc2c1O
InChIInChI=1S/C24H22N2O5S2/c1-16-9-3-7-13-20(16)25-32(28,29)22-15-23(24(27)19-12-6-5-11-18(19)22)33(30,31)26-21-14-8-4-10-17(21)2/h3-15,25-27H,1-2H3
InChIKeyUTWALKMVMFQMGQ-UHFFFAOYSA-N
XLogP4.76
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565778
7-hydroxy-6-[(2-methylphenyl)sulfamoyl]naphthalene-2-sulfonic acid
CID 88702310
2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 68803257
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
(2-methylphenyl)sulfamic acid;hydrochloride
CID 174841873
6-methyl-N-(2-methylphenyl)quinoline-8-sulfonamide
CID 7304307
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide?
The IUPAC name of 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide (CID 86634478) is 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide.
What is the SMILES notation for 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide?
The canonical SMILES for 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2C)c2ccccc2c1O.
What is the InChIKey of 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide?
The InChIKey is UTWALKMVMFQMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S2/c1-16-9-3-7-13-20(16)25-32(28,29)22-15-23(24(27)19-12-6-5-11-18(19)22)33(30,31)26-21-14-8-4-10-17(21)2/h3-15,25-27H,1-2H3.
What are the key properties of 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide?
4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide has a molecular weight of 482.58 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide is sourced from PubChem (CID 86634478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).