1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide

C23H22F2N2O4S2 — CID 1176403

IUPAC1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H22F2N2O4S2/c24-19-5-1-17(2-6-19)15-27(16-18-3-7-20(25)8-4-18)33(30,31)23-13-11-22(12-14-23)32(28,29)26-21-9-10-21/h1-8,11-14,21,26H,9-10,15-16H2
InChIKeyKYDHREAGGRHNHW-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.80
Rot. Bonds9

About 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide

1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide (PubChem CID 1176403) has the molecular formula C23H22F2N2O4S2 and a molecular weight of 492.57 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
PubChem CID1176403
Molecular FormulaC23H22F2N2O4S2
Molecular Weight492.57 g/mol
Exact Mass492.10
IUPAC Name1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H22F2N2O4S2/c24-19-5-1-17(2-6-19)15-27(16-18-3-7-20(25)8-4-18)33(30,31)23-13-11-22(12-14-23)32(28,29)26-21-9-10-21/h1-8,11-14,21,26H,9-10,15-16H2
InChIKeyKYDHREAGGRHNHW-UHFFFAOYSA-N
XLogP3.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-4-N-[(4-fluorophenyl)methyl]-4-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1176404
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 3202155
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3213086
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide (CID 1176403) is 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide?
The InChIKey is KYDHREAGGRHNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S2/c24-19-5-1-17(2-6-19)15-27(16-18-3-7-20(25)8-4-18)33(30,31)23-13-11-22(12-14-23)32(28,29)26-21-9-10-21/h1-8,11-14,21,26H,9-10,15-16H2.
What are the key properties of 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide?
1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide has a molecular weight of 492.57 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 1176403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).