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

C14H13ClFNO2S2 — CID 42269729

IUPAC5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClFNO2S2/c15-12-5-6-13(20-12)21(18,19)17-9-14(7-8-14)10-1-3-11(16)4-2-10/h1-6,17H,7-9H2
InChIKeyXVJGDDZLMFVIDR-UHFFFAOYSA-N
MW345.85 g/mol
LogP3.55
Rot. Bonds5

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

5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide (PubChem CID 42269729) has the molecular formula C14H13ClFNO2S2 and a molecular weight of 345.85 g/mol. Its IUPAC name is 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide
PubChem CID42269729
Molecular FormulaC14H13ClFNO2S2
Molecular Weight345.85 g/mol
Exact Mass345.01
IUPAC Name5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClFNO2S2/c15-12-5-6-13(20-12)21(18,19)17-9-14(7-8-14)10-1-3-11(16)4-2-10/h1-6,17H,7-9H2
InChIKeyXVJGDDZLMFVIDR-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide (CID 42269729) is 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide?
The InChIKey is XVJGDDZLMFVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S2/c15-12-5-6-13(20-12)21(18,19)17-9-14(7-8-14)10-1-3-11(16)4-2-10/h1-6,17H,7-9H2.
What are the key properties of 5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-sulfonamide has a molecular weight of 345.85 g/mol, XLogP of 3.55, 5 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]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42269729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).