1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine

C18H18N4O4S2 — CID 139179736

IUPAC1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
SMILESO=S(=O)(Nc1ccccc1)Nc1ccc(NS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H18N4O4S2/c23-27(24,19-15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-28(25,26)20-16-9-5-2-6-10-16/h1-14,19-22H
InChIKeyDKWBKTCUGKOMPX-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.22
Rot. Bonds8

About 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine

1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine (PubChem CID 139179736) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
PubChem CID139179736
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
SMILESO=S(=O)(Nc1ccccc1)Nc1ccc(NS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H18N4O4S2/c23-27(24,19-15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-28(25,26)20-16-9-5-2-6-10-16/h1-14,19-22H
InChIKeyDKWBKTCUGKOMPX-UHFFFAOYSA-N
XLogP3.22
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}, {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(methylsulfamoyl)aniline
CID 91119809
benzene;(sulfamoylamino)benzene
CID 174742453
phenylsulfamic acid
CID 160771078
N-phenylsulfamoyl chloride
CID 11564615
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
phenylsulfamoylformic acid
CID 57244146
(fluorosulfonylsulfonylamino)benzene
CID 18785310
1,1,1-tribromo-N-phenylmethanesulfonamide
CID 23576861
N-[2-(disulfanyl)propan-2-ylsulfamoyl]aniline
CID 137482567
N-(phenylsulfamoyl)adamantan-1-amine
CID 134204498
phenyl N-phenylsulfamate
CID 13042751
CID 50987199
CID 50987199

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine (CID 139179736) is 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine is O=S(=O)(Nc1ccccc1)Nc1ccc(NS(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine?
The InChIKey is DKWBKTCUGKOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-27(24,19-15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-28(25,26)20-16-9-5-2-6-10-16/h1-14,19-22H.
What are the key properties of 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine?
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine has a molecular weight of 418.50 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine is sourced from PubChem (CID 139179736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).