3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

C17H14Cl2N2O3S2 — CID 35141026

IUPAC3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O3S2/c18-12-2-1-3-13-14(12)15(19)16(25-13)17(22)21-9-8-10-4-6-11(7-5-10)26(20,23)24/h1-7H,8-9H2,(H,21,22)(H2,20,23,24)
InChIKeyOPIAWOZBDDPCRR-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.83
Rot. Bonds5

About 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 35141026) has the molecular formula C17H14Cl2N2O3S2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID35141026
Molecular FormulaC17H14Cl2N2O3S2
Molecular Weight429.35 g/mol
Exact Mass427.98
IUPAC Name3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O3S2/c18-12-2-1-3-13-14(12)15(19)16(25-13)17(22)21-9-8-10-4-6-11(7-5-10)26(20,23)24/h1-7H,8-9H2,(H,21,22)(H2,20,23,24)
InChIKeyOPIAWOZBDDPCRR-UHFFFAOYSA-N
XLogP3.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 42571000
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
3,4-dichloro-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 39854884
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
3,4-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 17070342
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425
3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26585972
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
(E)-3-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 35141026) is 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1.
What is the InChIKey of 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OPIAWOZBDDPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S2/c18-12-2-1-3-13-14(12)15(19)16(25-13)17(22)21-9-8-10-4-6-11(7-5-10)26(20,23)24/h1-7H,8-9H2,(H,21,22)(H2,20,23,24).
What are the key properties of 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35141026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).