N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide

C13H16N2O2S2 — CID 64894286

IUPACN-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2CN)s1
InChIInChI=1S/C13H16N2O2S2/c1-2-11-7-8-13(18-11)19(16,17)15-12-6-4-3-5-10(12)9-14/h3-8,15H,2,9,14H2,1H3
InChIKeyDXPUPQVXMSQVRN-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide

N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 64894286) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
PubChem CID64894286
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2CN)s1
InChIInChI=1S/C13H16N2O2S2/c1-2-11-7-8-13(18-11)19(16,17)15-12-6-4-3-5-10(12)9-14/h3-8,15H,2,9,14H2,1H3
InChIKeyDXPUPQVXMSQVRN-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 61454327
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
N-(3,4-dihydro-2H-chromen-8-yl)-5-ethylthiophene-2-sulfonamide
CID 110870791
5-ethyl-N-[4-(2-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987399
N-(2-ethylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068035

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide (CID 64894286) is N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccc2CN)s1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is DXPUPQVXMSQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-2-11-7-8-13(18-11)19(16,17)15-12-6-4-3-5-10(12)9-14/h3-8,15H,2,9,14H2,1H3.
What are the key properties of N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 64894286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).