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

C12H12F2N2O2S2 — CID 106052083

IUPAC4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H12F2N2O2S2/c13-10-2-1-8(3-11(10)14)6-16-20(17,18)12-4-9(5-15)7-19-12/h1-4,7,16H,5-6,15H2
InChIKeyKTQCNWVUJAVJPE-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.96
Rot. Bonds5

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

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 106052083) has the molecular formula C12H12F2N2O2S2 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID106052083
Molecular FormulaC12H12F2N2O2S2
Molecular Weight318.37 g/mol
Exact Mass318.03
IUPAC Name4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H12F2N2O2S2/c13-10-2-1-8(3-11(10)14)6-16-20(17,18)12-4-9(5-15)7-19-12/h1-4,7,16H,5-6,15H2
InChIKeyKTQCNWVUJAVJPE-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106062675
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide (CID 106052083) is 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)NCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is KTQCNWVUJAVJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S2/c13-10-2-1-8(3-11(10)14)6-16-20(17,18)12-4-9(5-15)7-19-12/h1-4,7,16H,5-6,15H2.
What are the key properties of 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 318.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106052083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).