3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide

C16H12Cl2N2O3S2 — CID 26585972

IUPAC3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1
InChIInChI=1S/C16H12Cl2N2O3S2/c17-10-3-6-12-13(7-10)24-15(14(12)18)16(21)20-8-9-1-4-11(5-2-9)25(19,22)23/h1-7H,8H2,(H,20,21)(H2,19,22,23)
InChIKeyJPCMIEPLJKYXHA-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.79
Rot. Bonds4

About 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide

3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 26585972) has the molecular formula C16H12Cl2N2O3S2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID26585972
Molecular FormulaC16H12Cl2N2O3S2
Molecular Weight415.32 g/mol
Exact Mass413.97
IUPAC Name3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1
InChIInChI=1S/C16H12Cl2N2O3S2/c17-10-3-6-12-13(7-10)24-15(14(12)18)16(21)20-8-9-1-4-11(5-2-9)25(19,22)23/h1-7H,8H2,(H,20,21)(H2,19,22,23)
InChIKeyJPCMIEPLJKYXHA-UHFFFAOYSA-N
XLogP3.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 1192955
N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 60675704
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-(3-aminopropyl)-3,6-dichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119408040
3-chloro-6-fluoro-N-[(4-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 55899744
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
6-chloro-N-[(4-fluorophenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846058
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919460
3,6-dichloro-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 17078862
[4-[[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 8533352

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 26585972) is 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is JPCMIEPLJKYXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3S2/c17-10-3-6-12-13(7-10)24-15(14(12)18)16(21)20-8-9-1-4-11(5-2-9)25(19,22)23/h1-7H,8H2,(H,20,21)(H2,19,22,23).
What are the key properties of 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26585972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).