3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide

C22H23ClN2O3S2 — CID 1263674

IUPAC3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C22H23ClN2O3S2/c1-25(16-7-3-2-4-8-16)30(27,28)17-13-11-15(12-14-17)24-22(26)21-20(23)18-9-5-6-10-19(18)29-21/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyNRRMJJHDVUAOCT-UHFFFAOYSA-N
MW463.02 g/mol
LogP5.76
Rot. Bonds5

About 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 1263674) has the molecular formula C22H23ClN2O3S2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID1263674
Molecular FormulaC22H23ClN2O3S2
Molecular Weight463.02 g/mol
Exact Mass462.08
IUPAC Name3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C22H23ClN2O3S2/c1-25(16-7-3-2-4-8-16)30(27,28)17-13-11-15(12-14-17)24-22(26)21-20(23)18-9-5-6-10-19(18)29-21/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyNRRMJJHDVUAOCT-UHFFFAOYSA-N
XLogP5.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1015028
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118
2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
CID 16563331
2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
CID 31288662
1-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 17109024
3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide (CID 1263674) is 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NRRMJJHDVUAOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S2/c1-25(16-7-3-2-4-8-16)30(27,28)17-13-11-15(12-14-17)24-22(26)21-20(23)18-9-5-6-10-19(18)29-21/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26).
What are the key properties of 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 463.02 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1263674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).