4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide

C14H18N2O2S2 — CID 62319235

IUPAC4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
SMILESCCc1ccc(CNCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-2-12-5-6-13(19-12)10-16-9-11-3-7-14(8-4-11)20(15,17)18/h3-8,16H,2,9-10H2,1H3,(H2,15,17,18)
InChIKeyJQXDHUKDMIRIJZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.25
Rot. Bonds6

About 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 62319235) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
PubChem CID62319235
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
SMILESCCc1ccc(CNCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-2-12-5-6-13(19-12)10-16-9-11-3-7-14(8-4-11)20(15,17)18/h3-8,16H,2,9-10H2,1H3,(H2,15,17,18)
InChIKeyJQXDHUKDMIRIJZ-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide
CID 60982357
N-[(5-ethylthiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875792
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol
CID 113235536
2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137154
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607181
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide (CID 62319235) is 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide is CCc1ccc(CNCc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is JQXDHUKDMIRIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-2-12-5-6-13(19-12)10-16-9-11-3-7-14(8-4-11)20(15,17)18/h3-8,16H,2,9-10H2,1H3,(H2,15,17,18).
What are the key properties of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 62319235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).