N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C13H14ClFN2O2S2 — CID 106087894

IUPACN-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1C
InChIInChI=1S/C13H14ClFN2O2S2/c1-8-3-13(20-12(8)7-16-2)21(18,19)17-11-5-9(14)4-10(15)6-11/h3-6,16-17H,7H2,1-2H3
InChIKeyQXBLUPHDXUKJCA-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.37
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106087894) has the molecular formula C13H14ClFN2O2S2 and a molecular weight of 348.85 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106087894
Molecular FormulaC13H14ClFN2O2S2
Molecular Weight348.85 g/mol
Exact Mass348.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1C
InChIInChI=1S/C13H14ClFN2O2S2/c1-8-3-13(20-12(8)7-16-2)21(18,19)17-11-5-9(14)4-10(15)6-11/h3-6,16-17H,7H2,1-2H3
InChIKeyQXBLUPHDXUKJCA-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031146
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
5-bromo-4-chloro-N-(3-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107370257
N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106057338
N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 107334288
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
N-(2,5-dibromophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106007099
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106044813

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106087894) is N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1C.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is QXBLUPHDXUKJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2S2/c1-8-3-13(20-12(8)7-16-2)21(18,19)17-11-5-9(14)4-10(15)6-11/h3-6,16-17H,7H2,1-2H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 348.85 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106087894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).