5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide

C14H17ClN2O3S — CID 81349730

IUPAC5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H17ClN2O3S/c1-10(11-3-5-12(15)6-4-11)17-9-13-7-8-14(20-13)21(18,19)16-2/h3-8,10,16-17H,9H2,1-2H3/t10-/m1/s1
InChIKeyOODPJHYSIKWDBJ-SNVBAGLBSA-N
MW328.82 g/mol
LogP2.69
Rot. Bonds6

About 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide

5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide (PubChem CID 81349730) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
PubChem CID81349730
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H17ClN2O3S/c1-10(11-3-5-12(15)6-4-11)17-9-13-7-8-14(20-13)21(18,19)16-2/h3-8,10,16-17H,9H2,1-2H3/t10-/m1/s1
InChIKeyOODPJHYSIKWDBJ-SNVBAGLBSA-N
XLogP2.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
5-[[1-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103244932
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 129398374
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide (CID 81349730) is 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is OODPJHYSIKWDBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-10(11-3-5-12(15)6-4-11)17-9-13-7-8-14(20-13)21(18,19)16-2/h3-8,10,16-17H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide?
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 81349730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).