3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide

C20H17ClFNO3S2 — CID 39209798

IUPAC3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C20H17ClFNO3S2/c21-18-16-9-8-12(22)10-17(16)27-19(18)20(24)23-13-4-3-7-15(11-13)28(25,26)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,24)
InChIKeyKAHJGKYPOWJEOO-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.66
Rot. Bonds4

About 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 39209798) has the molecular formula C20H17ClFNO3S2 and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID39209798
Molecular FormulaC20H17ClFNO3S2
Molecular Weight437.95 g/mol
Exact Mass437.03
IUPAC Name3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C20H17ClFNO3S2/c21-18-16-9-8-12(22)10-17(16)27-19(18)20(24)23-13-4-3-7-15(11-13)28(25,26)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,24)
InChIKeyKAHJGKYPOWJEOO-UHFFFAOYSA-N
XLogP5.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 993999
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
CID 155781142
3-chloro-N'-(cyclopropanecarbonyl)-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 26586793
2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 38304433
N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39207980
3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 46419737
3-chloro-6-fluoro-N-[3-(pyridin-3-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 55804939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 39209798) is 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is KAHJGKYPOWJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3S2/c21-18-16-9-8-12(22)10-17(16)27-19(18)20(24)23-13-4-3-7-15(11-13)28(25,26)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,24).
What are the key properties of 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 39209798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).