5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C14H17FN2O2S2 — CID 106049882

IUPAC5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C14H17FN2O2S2/c1-10-13(15)6-12(8-16)7-14(10)21(18,19)17-4-2-11-3-5-20-9-11/h3,5-7,9,17H,2,4,8,16H2,1H3
InChIKeyGZHOJZLUKPALTM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.18
Rot. Bonds6

About 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide

5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 106049882) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID106049882
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C14H17FN2O2S2/c1-10-13(15)6-12(8-16)7-14(10)21(18,19)17-4-2-11-3-5-20-9-11/h3,5-7,9,17H,2,4,8,16H2,1H3
InChIKeyGZHOJZLUKPALTM-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 107325755
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
5-(aminomethyl)-3-fluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411399
5-(aminomethyl)-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 106066514
5-(aminomethyl)-N-[4-(dimethylamino)butyl]-3-fluoro-2-methylbenzenesulfonamide
CID 106051739
5-(aminomethyl)-3-fluoro-N-(4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106053966
5-(aminomethyl)-3-fluoro-N-(5-methoxypentyl)-2-methylbenzenesulfonamide
CID 106092701
5-amino-4-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114625464
5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
CID 106050116
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 106049882) is 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide is Cc1c(F)cc(CN)cc1S(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is GZHOJZLUKPALTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-10-13(15)6-12(8-16)7-14(10)21(18,19)17-4-2-11-3-5-20-9-11/h3,5-7,9,17H,2,4,8,16H2,1H3.
What are the key properties of 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106049882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).