4-N-(4-phenylphenyl)benzene-1,4-disulfonamide

C18H16N2O4S2 — CID 8822463

IUPAC4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2O4S2/c19-25(21,22)17-10-12-18(13-11-17)26(23,24)20-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,20H,(H2,19,21,22)
InChIKeySXWYEHGVBUKWLD-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.80
Rot. Bonds5

About 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide

4-N-(4-phenylphenyl)benzene-1,4-disulfonamide (PubChem CID 8822463) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
PubChem CID8822463
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2O4S2/c19-25(21,22)17-10-12-18(13-11-17)26(23,24)20-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,20H,(H2,19,21,22)
InChIKeySXWYEHGVBUKWLD-UHFFFAOYSA-N
XLogP2.80
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
N-(4-phenylphenyl)sulfamate
CID 101234676
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
CID 4146
N,3-diphenylbenzenesulfonamide
CID 54513984
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide (CID 8822463) is 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide?
The InChIKey is SXWYEHGVBUKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c19-25(21,22)17-10-12-18(13-11-17)26(23,24)20-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,20H,(H2,19,21,22).
What are the key properties of 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide?
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide has a molecular weight of 388.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-phenylphenyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 8822463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).