3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide

C23H18Cl2N2O5S2 — CID 2353162

IUPAC3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H18Cl2N2O5S2/c1-31-13-7-9-15-19(11-13)33-22(21(15)25)23(28)26-18-10-8-14(32-2)12-20(18)34(29,30)27-17-6-4-3-5-16(17)24/h3-12,27H,1-2H3,(H,26,28)
InChIKeyGRGBUVXRIVINJR-UHFFFAOYSA-N
MW537.45 g/mol
LogP6.28
Rot. Bonds7

About 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 2353162) has the molecular formula C23H18Cl2N2O5S2 and a molecular weight of 537.45 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID2353162
Molecular FormulaC23H18Cl2N2O5S2
Molecular Weight537.45 g/mol
Exact Mass536.00
IUPAC Name3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H18Cl2N2O5S2/c1-31-13-7-9-15-19(11-13)33-22(21(15)25)23(28)26-18-10-8-14(32-2)12-20(18)34(29,30)27-17-6-4-3-5-16(17)24/h3-12,27H,1-2H3,(H,26,28)
InChIKeyGRGBUVXRIVINJR-UHFFFAOYSA-N
XLogP6.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.45
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 675783
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 988675
methyl 3-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
CID 2225358
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3-chloro-6-methoxy-N'-(thiophene-2-carbonyl)-1-benzothiophene-2-carbohydrazide
CID 1013841

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide (CID 2353162) is 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is GRGBUVXRIVINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5S2/c1-31-13-7-9-15-19(11-13)33-22(21(15)25)23(28)26-18-10-8-14(32-2)12-20(18)34(29,30)27-17-6-4-3-5-16(17)24/h3-12,27H,1-2H3,(H,26,28).
What are the key properties of 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 537.45 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2353162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).