5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide

C13H11ClFNO2S2 — CID 16674138

IUPAC5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNO2S2/c14-11-5-6-12(19-11)20(17,18)16-13(7-8-13)9-1-3-10(15)4-2-9/h1-6,16H,7-8H2
InChIKeyNWAIZYCHOGAZSS-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide

5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide (PubChem CID 16674138) has the molecular formula C13H11ClFNO2S2 and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
PubChem CID16674138
Molecular FormulaC13H11ClFNO2S2
Molecular Weight331.82 g/mol
Exact Mass330.99
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNO2S2/c14-11-5-6-12(19-11)20(17,18)16-13(7-8-13)9-1-3-10(15)4-2-9/h1-6,16H,7-8H2
InChIKeyNWAIZYCHOGAZSS-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide (CID 16674138) is 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide is O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide?
The InChIKey is NWAIZYCHOGAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S2/c14-11-5-6-12(19-11)20(17,18)16-13(7-8-13)9-1-3-10(15)4-2-9/h1-6,16H,7-8H2.
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide?
5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide has a molecular weight of 331.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16674138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).