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

C13H14ClFN2O2S2 — CID 106088465

IUPACN-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(C)s1
InChIInChI=1S/C13H14ClFN2O2S2/c1-8-13(6-10(20-8)7-16-2)21(18,19)17-12-5-9(15)3-4-11(12)14/h3-6,16-17H,7H2,1-2H3
InChIKeyAVCKLIIHRGAPDK-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.37
Rot. Bonds5

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

N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106088465) has the molecular formula C13H14ClFN2O2S2 and a molecular weight of 348.85 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106088465
Molecular FormulaC13H14ClFN2O2S2
Molecular Weight348.85 g/mol
Exact Mass348.02
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(C)s1
InChIInChI=1S/C13H14ClFN2O2S2/c1-8-13(6-10(20-8)7-16-2)21(18,19)17-12-5-9(15)3-4-11(12)14/h3-6,16-17H,7H2,1-2H3
InChIKeyAVCKLIIHRGAPDK-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

5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 106052167
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107529035
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106088465) is N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(C)s1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is AVCKLIIHRGAPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2S2/c1-8-13(6-10(20-8)7-16-2)21(18,19)17-12-5-9(15)3-4-11(12)14/h3-6,16-17H,7H2,1-2H3.
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-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-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106088465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).