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

C24H22N2O5S2 — CID 86634474

IUPAC7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c3cc(O)ccc3c2)c1
InChIInChI=1S/C24H22N2O5S2/c1-16-5-3-7-19(11-16)25-32(28,29)22-13-18-9-10-21(27)14-23(18)24(15-22)33(30,31)26-20-8-4-6-17(2)12-20/h3-15,25-27H,1-2H3
InChIKeyDBGQCUZYCAMMNX-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.76
Rot. Bonds6

About 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide

7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide (PubChem CID 86634474) has the molecular formula C24H22N2O5S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide.

Molecular Properties

Compound Name7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide
PubChem CID86634474
Molecular FormulaC24H22N2O5S2
Molecular Weight482.58 g/mol
Exact Mass482.10
IUPAC Name7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c3cc(O)ccc3c2)c1
InChIInChI=1S/C24H22N2O5S2/c1-16-5-3-7-19(11-16)25-32(28,29)22-13-18-9-10-21(27)14-23(18)24(15-22)33(30,31)26-20-8-4-6-17(2)12-20/h3-15,25-27H,1-2H3
InChIKeyDBGQCUZYCAMMNX-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

7-hydroxy-1-N,3-N-diphenylnaphthalene-1,3-disulfonamide
CID 1376755
7-hydroxy-1-N,3-N-bis(3,4,5-trichlorophenyl)naphthalene-1,3-disulfonamide
CID 86634480
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
1-N,3-N-bis(3-chloro-2-fluorophenyl)-7-hydroxynaphthalene-1,3-disulfonamide
CID 86634483
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
7-hydroxy-3-[[5-[[3-[(6-hydroxy-4-sulfonaphthalen-2-yl)sulfamoyl]-4-methylphenyl]carbamoylamino]-2-methylphenyl]sulfonylamino]naphthalene-1-sulfonic acid
CID 88674163
(3-methylphenyl)sulfamic acid
CID 10307955
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide?
The IUPAC name of 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide (CID 86634474) is 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide.
What is the SMILES notation for 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide?
The canonical SMILES for 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide is Cc1cccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c3cc(O)ccc3c2)c1.
What is the InChIKey of 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide?
The InChIKey is DBGQCUZYCAMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S2/c1-16-5-3-7-19(11-16)25-32(28,29)22-13-18-9-10-21(27)14-23(18)24(15-22)33(30,31)26-20-8-4-6-17(2)12-20/h3-15,25-27H,1-2H3.
What are the key properties of 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide?
7-hydroxy-1-N,3-N-bis(3-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 7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide is sourced from PubChem (CID 86634474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).