4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17FN2O2S2 — CID 79179449

IUPAC4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C14H17FN2O2S2/c1-2-17(10-12-4-3-7-20-12)21(18,19)14-6-5-11(9-16)8-13(14)15/h3-8H,2,9-10,16H2,1H3
InChIKeyMKYIMKYREVGPGB-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.56
Rot. Bonds6

About 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 79179449) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID79179449
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C14H17FN2O2S2/c1-2-17(10-12-4-3-7-20-12)21(18,19)14-6-5-11(9-16)8-13(14)15/h3-8H,2,9-10,16H2,1H3
InChIKeyMKYIMKYREVGPGB-UHFFFAOYSA-N
XLogP2.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
2-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102920582
4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 79186743
5-(aminomethyl)-2,3-difluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 105119593
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
3-amino-5-chloro-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114379149
N-ethyl-2-methoxy-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39633177
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 79179449) is 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MKYIMKYREVGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-2-17(10-12-4-3-7-20-12)21(18,19)14-6-5-11(9-16)8-13(14)15/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79179449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).