N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

C21H17ClN2O5S — CID 92679696

IUPACN-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)c2)cc1
InChIInChI=1S/C21H17ClN2O5S/c1-13-2-6-16(7-3-13)30(26,27)24-15-4-8-17(18(22)10-15)21(25)23-14-5-9-19-20(11-14)29-12-28-19/h2-11,24H,12H2,1H3,(H,23,25)
InChIKeySBJUNGAUCVJDDF-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.43
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92679696) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92679696
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)c2)cc1
InChIInChI=1S/C21H17ClN2O5S/c1-13-2-6-16(7-3-13)30(26,27)24-15-4-8-17(18(22)10-15)21(25)23-14-5-9-19-20(11-14)29-12-28-19/h2-11,24H,12H2,1H3,(H,23,25)
InChIKeySBJUNGAUCVJDDF-UHFFFAOYSA-N
XLogP4.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide 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

2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30390821
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 92679696) is N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)c2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is SBJUNGAUCVJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c1-13-2-6-16(7-3-13)30(26,27)24-15-4-8-17(18(22)10-15)21(25)23-14-5-9-19-20(11-14)29-12-28-19/h2-11,24H,12H2,1H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 444.90 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92679696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).