N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide

C21H16Cl2N2O6S — CID 4781795

IUPACN-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H16Cl2N2O6S/c1-29-18-6-2-12(21(26)24-14-4-7-17-19(10-14)31-11-30-17)8-20(18)32(27,28)25-16-9-13(22)3-5-15(16)23/h2-10,25H,11H2,1H3,(H,24,26)
InChIKeySKMGSQIVKRNIEA-UHFFFAOYSA-N
MW495.34 g/mol
LogP4.78
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide

N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 4781795) has the molecular formula C21H16Cl2N2O6S and a molecular weight of 495.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
PubChem CID4781795
Molecular FormulaC21H16Cl2N2O6S
Molecular Weight495.34 g/mol
Exact Mass494.01
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H16Cl2N2O6S/c1-29-18-6-2-12(21(26)24-14-4-7-17-19(10-14)31-11-30-17)8-20(18)32(27,28)25-16-9-13(22)3-5-15(16)23/h2-10,25H,11H2,1H3,(H,24,26)
InChIKeySKMGSQIVKRNIEA-UHFFFAOYSA-N
XLogP4.78
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.34
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016572
N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 2110113
N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3920897
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
CID 21236808
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36664795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide (CID 4781795) is N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is SKMGSQIVKRNIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O6S/c1-29-18-6-2-12(21(26)24-14-4-7-17-19(10-14)31-11-30-17)8-20(18)32(27,28)25-16-9-13(22)3-5-15(16)23/h2-10,25H,11H2,1H3,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 495.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 4781795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).