N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide

C15H20N2O2S2 — CID 106094652

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccccc2CNC)s1
InChIInChI=1S/C15H20N2O2S2/c1-3-13-8-9-14(20-13)11-17-21(18,19)15-7-5-4-6-12(15)10-16-2/h4-9,16-17H,3,10-11H2,1-2H3
InChIKeyCRGPRPNZLLANJJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.51
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide

N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 106094652) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide
PubChem CID106094652
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccccc2CNC)s1
InChIInChI=1S/C15H20N2O2S2/c1-3-13-8-9-14(20-13)11-17-21(18,19)15-7-5-4-6-12(15)10-16-2/h4-9,16-17H,3,10-11H2,1-2H3
InChIKeyCRGPRPNZLLANJJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
CID 106006785
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 106015015
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920827
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920829
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide (CID 106094652) is N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccccc2CNC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is CRGPRPNZLLANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-13-8-9-14(20-13)11-17-21(18,19)15-7-5-4-6-12(15)10-16-2/h4-9,16-17H,3,10-11H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106094652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).