4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C14H18N2O4S — CID 81441145

IUPAC4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)Cc2ccoc2C)ccc1N
InChIInChI=1S/C14H18N2O4S/c1-10-11(6-7-20-10)9-16(2)21(17,18)12-4-5-13(15)14(8-12)19-3/h4-8H,9,15H2,1-3H3
InChIKeyLISTXZFJZMAUQE-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.00
Rot. Bonds5

About 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 81441145) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID81441145
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)Cc2ccoc2C)ccc1N
InChIInChI=1S/C14H18N2O4S/c1-10-11(6-7-20-10)9-16(2)21(17,18)12-4-5-13(15)14(8-12)19-3/h4-8H,9,15H2,1-3H3
InChIKeyLISTXZFJZMAUQE-UHFFFAOYSA-N
XLogP2.00
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
CID 63672007
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid
CID 146121445
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
3-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 107343380
5-amino-3-chloro-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426187
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
CID 104551002

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 81441145) is 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is COc1cc(S(=O)(=O)N(C)Cc2ccoc2C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is LISTXZFJZMAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-11(6-7-20-10)9-16(2)21(17,18)12-4-5-13(15)14(8-12)19-3/h4-8H,9,15H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 81441145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).