5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C14H17FN2O3S — CID 106003394

IUPAC5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(CN)ccc2F)o1
InChIInChI=1S/C14H17FN2O3S/c1-9-3-6-13(20-9)10(2)17-21(18,19)14-7-11(8-16)4-5-12(14)15/h3-7,10,17H,8,16H2,1-2H3
InChIKeyXEJMRPSOJBBRCR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.23
Rot. Bonds5

About 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 106003394) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID106003394
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(CN)ccc2F)o1
InChIInChI=1S/C14H17FN2O3S/c1-9-3-6-13(20-9)10(2)17-21(18,19)14-7-11(8-16)4-5-12(14)15/h3-7,10,17H,8,16H2,1-2H3
InChIKeyXEJMRPSOJBBRCR-UHFFFAOYSA-N
XLogP2.23
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 106054235
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 54958432

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 106003394) is 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc(CN)ccc2F)o1.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XEJMRPSOJBBRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9-3-6-13(20-9)10(2)17-21(18,19)14-7-11(8-16)4-5-12(14)15/h3-7,10,17H,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106003394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).