4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C14H18N2O3S — CID 61126824

IUPAC4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2C)o1
InChIInChI=1S/C14H18N2O3S/c1-9-8-12(15)5-7-14(9)20(17,18)16-11(3)13-6-4-10(2)19-13/h4-8,11,16H,15H2,1-3H3
InChIKeyXGMKGXIIDHGCBS-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.52
Rot. Bonds4

About 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 61126824) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID61126824
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2C)o1
InChIInChI=1S/C14H18N2O3S/c1-9-8-12(15)5-7-14(9)20(17,18)16-11(3)13-6-4-10(2)19-13/h4-8,11,16H,15H2,1-3H3
InChIKeyXGMKGXIIDHGCBS-UHFFFAOYSA-N
XLogP2.52
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 61126824) is 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(N)cc2C)o1.
What is the InChIKey of 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XGMKGXIIDHGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-8-12(15)5-7-14(9)20(17,18)16-11(3)13-6-4-10(2)19-13/h4-8,11,16H,15H2,1-3H3.
What are the key properties of 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61126824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).