4-(benzenesulfonamido)-N-phenylbenzenesulfonamide

C18H16N2O4S2 — CID 1333712

IUPAC4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C18H16N2O4S2/c21-25(22,17-9-5-2-6-10-17)20-16-11-13-18(14-12-16)26(23,24)19-15-7-3-1-4-8-15/h1-14,19-20H
InChIKeyZDPKGYJZHLNFIU-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.29
Rot. Bonds6

About 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide (PubChem CID 1333712) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
PubChem CID1333712
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C18H16N2O4S2/c21-25(22,17-9-5-2-6-10-17)20-16-11-13-18(14-12-16)26(23,24)19-15-7-3-1-4-8-15/h1-14,19-20H
InChIKeyZDPKGYJZHLNFIU-UHFFFAOYSA-N
XLogP3.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-(phenylsulfamoyl)benzoate
CID 6997297
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide (CID 1333712) is 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide?
The InChIKey is ZDPKGYJZHLNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c21-25(22,17-9-5-2-6-10-17)20-16-11-13-18(14-12-16)26(23,24)19-15-7-3-1-4-8-15/h1-14,19-20H.
What are the key properties of 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide?
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1333712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).