3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

C21H21ClN2O3S2 — CID 1015028

IUPAC3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H21ClN2O3S2/c22-19-17-8-4-5-9-18(17)28-20(19)21(25)23-14-10-12-16(13-11-14)29(26,27)24-15-6-2-1-3-7-15/h4-5,8-13,15,24H,1-3,6-7H2,(H,23,25)
InChIKeyMYBZVJYWMLBGPP-UHFFFAOYSA-N
MW449.00 g/mol
LogP5.42
Rot. Bonds5

About 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 1015028) has the molecular formula C21H21ClN2O3S2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID1015028
Molecular FormulaC21H21ClN2O3S2
Molecular Weight449.00 g/mol
Exact Mass448.07
IUPAC Name3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H21ClN2O3S2/c22-19-17-8-4-5-9-18(17)28-20(19)21(25)23-14-10-12-16(13-11-14)29(26,27)24-15-6-2-1-3-7-15/h4-5,8-13,15,24H,1-3,6-7H2,(H,23,25)
InChIKeyMYBZVJYWMLBGPP-UHFFFAOYSA-N
XLogP5.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 17109024
3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
CID 1263674
3-chloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55428790
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838
1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-cyclohexylurea
CID 2837015
3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3312445
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 2228727
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
3-chloro-N'-(cyclohexanecarbonyl)-1-benzothiophene-2-carbohydrazide
CID 923362
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801114

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 1015028) is 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MYBZVJYWMLBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S2/c22-19-17-8-4-5-9-18(17)28-20(19)21(25)23-14-10-12-16(13-11-14)29(26,27)24-15-6-2-1-3-7-15/h4-5,8-13,15,24H,1-3,6-7H2,(H,23,25).
What are the key properties of 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 449.00 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1015028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).