3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C15H20N2O3S — CID 79885779

IUPAC3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)Cc2ccc(C)o2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-7-14(16)12(3)15(8-10)21(18,19)17(4)9-13-6-5-11(2)20-13/h5-8H,9,16H2,1-4H3
InChIKeyFAHUFJKZQIAXBJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 79885779) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID79885779
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)Cc2ccc(C)o2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-7-14(16)12(3)15(8-10)21(18,19)17(4)9-13-6-5-11(2)20-13/h5-8H,9,16H2,1-4H3
InChIKeyFAHUFJKZQIAXBJ-UHFFFAOYSA-N
XLogP2.61
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 79885779) is 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)N(C)Cc2ccc(C)o2)c1.
What is the InChIKey of 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is FAHUFJKZQIAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-7-14(16)12(3)15(8-10)21(18,19)17(4)9-13-6-5-11(2)20-13/h5-8H,9,16H2,1-4H3.
What are the key properties of 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).