2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide

C14H17FN2O2S2 — CID 106062308

IUPAC2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
SMILESCC(Cc1ccc(F)cc1)NS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C14H17FN2O2S2/c1-10(8-11-2-4-12(15)5-3-11)17-21(18,19)14-6-7-20-13(14)9-16/h2-7,10,17H,8-9,16H2,1H3
InChIKeyOABZLUIRZSYMOR-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.26
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide (PubChem CID 106062308) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
PubChem CID106062308
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
SMILESCC(Cc1ccc(F)cc1)NS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C14H17FN2O2S2/c1-10(8-11-2-4-12(15)5-3-11)17-21(18,19)14-6-7-20-13(14)9-16/h2-7,10,17H,8-9,16H2,1H3
InChIKeyOABZLUIRZSYMOR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
CID 114141469
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81265120
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]propane-1-sulfonamide
CID 62997355
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
CID 62995687
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide (CID 106062308) is 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide is CC(Cc1ccc(F)cc1)NS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide?
The InChIKey is OABZLUIRZSYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-10(8-11-2-4-12(15)5-3-11)17-21(18,19)14-6-7-20-13(14)9-16/h2-7,10,17H,8-9,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 106062308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).