2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide

C21H18Cl2N2O4S2 — CID 24637119

IUPAC2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H18Cl2N2O4S2/c1-29-19-10-7-13(24-21(26)15-12-14(30-2)8-9-16(15)22)11-20(19)31(27,28)25-18-6-4-3-5-17(18)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyDLVRQTQWVJQPRD-UHFFFAOYSA-N
MW497.43 g/mol
LogP5.78
Rot. Bonds7

About 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide

2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide (PubChem CID 24637119) has the molecular formula C21H18Cl2N2O4S2 and a molecular weight of 497.43 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
PubChem CID24637119
Molecular FormulaC21H18Cl2N2O4S2
Molecular Weight497.43 g/mol
Exact Mass496.01
IUPAC Name2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H18Cl2N2O4S2/c1-29-19-10-7-13(24-21(26)15-12-14(30-2)8-9-16(15)22)11-20(19)31(27,28)25-18-6-4-3-5-17(18)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyDLVRQTQWVJQPRD-UHFFFAOYSA-N
XLogP5.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
CID 60575699
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4007249
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 3326698
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 24637106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide (CID 24637119) is 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide is COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide?
The InChIKey is DLVRQTQWVJQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S2/c1-29-19-10-7-13(24-21(26)15-12-14(30-2)8-9-16(15)22)11-20(19)31(27,28)25-18-6-4-3-5-17(18)23/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide?
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide has a molecular weight of 497.43 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 24637119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).