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

C21H17ClN2O5S — CID 3920897

IUPACN-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1
InChIInChI=1S/C21H17ClN2O5S/c1-13-3-2-4-16(9-13)24-30(26,27)20-10-14(5-7-17(20)22)21(25)23-15-6-8-18-19(11-15)29-12-28-18/h2-11,24H,12H2,1H3,(H,23,25)
InChIKeyHNYSBMFTXCMZOW-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.43
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 3920897) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID3920897
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1
InChIInChI=1S/C21H17ClN2O5S/c1-13-3-2-4-16(9-13)24-30(26,27)20-10-14(5-7-17(20)22)21(25)23-15-6-8-18-19(11-15)29-12-28-18/h2-11,24H,12H2,1H3,(H,23,25)
InChIKeyHNYSBMFTXCMZOW-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

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
CID 4320437
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46799199
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 133165148
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 3920897) is N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is HNYSBMFTXCMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c1-13-3-2-4-16(9-13)24-30(26,27)20-10-14(5-7-17(20)22)21(25)23-15-6-8-18-19(11-15)29-12-28-18/h2-11,24H,12H2,1H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]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)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3920897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).