N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide

C13H14F2N2O2S2 — CID 106052050

IUPACN-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)s1
InChIInChI=1S/C13H14F2N2O2S2/c1-16-8-10-3-5-13(20-10)21(18,19)17-7-9-2-4-11(14)12(15)6-9/h2-6,16-17H,7-8H2,1H3
InChIKeyOUMJLMRNRQBYON-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.22
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide

N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106052050) has the molecular formula C13H14F2N2O2S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106052050
Molecular FormulaC13H14F2N2O2S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC NameN-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)s1
InChIInChI=1S/C13H14F2N2O2S2/c1-16-8-10-3-5-13(20-10)21(18,19)17-7-9-2-4-11(14)12(15)6-9/h2-6,16-17H,7-8H2,1H3
InChIKeyOUMJLMRNRQBYON-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 106052083
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106052050) is N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is OUMJLMRNRQBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S2/c1-16-8-10-3-5-13(20-10)21(18,19)17-7-9-2-4-11(14)12(15)6-9/h2-6,16-17H,7-8H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 332.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106052050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).