N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide

C23H25N3O5S2 — CID 20630386

IUPACN-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-23(2,3)33(30,31)26-20-11-9-17(10-12-20)22(27)24-18-13-15-19(16-14-18)25-32(28,29)21-7-5-4-6-8-21/h4-16,25-26H,1-3H3,(H,24,27)
InChIKeyFGSUHNCQOVTHNO-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.28
Rot. Bonds7

About N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide

N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide (PubChem CID 20630386) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
PubChem CID20630386
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-23(2,3)33(30,31)26-20-11-9-17(10-12-20)22(27)24-18-13-15-19(16-14-18)25-32(28,29)21-7-5-4-6-8-21/h4-16,25-26H,1-3H3,(H,24,27)
InChIKeyFGSUHNCQOVTHNO-UHFFFAOYSA-N
XLogP4.28
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide?
The IUPAC name of N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide (CID 20630386) is N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide?
The InChIKey is FGSUHNCQOVTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-23(2,3)33(30,31)26-20-11-9-17(10-12-20)22(27)24-18-13-15-19(16-14-18)25-32(28,29)21-7-5-4-6-8-21/h4-16,25-26H,1-3H3,(H,24,27).
What are the key properties of N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide?
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide has a molecular weight of 487.60 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide is sourced from PubChem (CID 20630386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).