N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C18H15FN2O3S2 — CID 33310920

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H15FN2O3S2/c19-15-5-2-6-16-14(15)10-17(25-16)18(22)20-12-3-1-4-13(9-12)26(23,24)21-11-7-8-11/h1-6,9-11,21H,7-8H2,(H,20,22)
InChIKeyDWPJJVMXJNZTHS-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.73
Rot. Bonds5

About N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 33310920) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID33310920
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H15FN2O3S2/c19-15-5-2-6-16-14(15)10-17(25-16)18(22)20-12-3-1-4-13(9-12)26(23,24)21-11-7-8-11/h1-6,9-11,21H,7-8H2,(H,20,22)
InChIKeyDWPJJVMXJNZTHS-UHFFFAOYSA-N
XLogP3.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43029814
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
N-[3-(cyclopropylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 24582373
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-[3-(cyclopropylsulfamoyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 166183101
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 33310920) is N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2c(F)cccc2s1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is DWPJJVMXJNZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c19-15-5-2-6-16-14(15)10-17(25-16)18(22)20-12-3-1-4-13(9-12)26(23,24)21-11-7-8-11/h1-6,9-11,21H,7-8H2,(H,20,22).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 33310920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).