N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide

C13H12ClF2NO2S2 — CID 2374178

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C13H12ClF2NO2S2/c14-11-5-3-10(4-6-11)7-8-17(13(15)16)21(18,19)12-2-1-9-20-12/h1-6,9,13H,7-8H2
InChIKeyJACUEFANWKEYPY-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.86
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide

N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide (PubChem CID 2374178) has the molecular formula C13H12ClF2NO2S2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide
PubChem CID2374178
Molecular FormulaC13H12ClF2NO2S2
Molecular Weight351.83 g/mol
Exact Mass351.00
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C13H12ClF2NO2S2/c14-11-5-3-10(4-6-11)7-8-17(13(15)16)21(18,19)12-2-1-9-20-12/h1-6,9,13H,7-8H2
InChIKeyJACUEFANWKEYPY-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855632
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 99956135
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 107492734
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
CID 60827657
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 2342115
2-(difluoromethylsulfonyl)thiophene
CID 82076235

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide (CID 2374178) is N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCc1ccc(Cl)cc1)C(F)F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide?
The InChIKey is JACUEFANWKEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NO2S2/c14-11-5-3-10(4-6-11)7-8-17(13(15)16)21(18,19)12-2-1-9-20-12/h1-6,9,13H,7-8H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide has a molecular weight of 351.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2374178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).