5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide

C14H18N2O4S — CID 106002777

IUPAC5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(CN)oc2C)c1
InChIInChI=1S/C14H18N2O4S/c1-10-14(7-13(8-15)20-10)21(17,18)16-12-5-3-4-11(6-12)9-19-2/h3-7,16H,8-9,15H2,1-2H3
InChIKeyNDIMDHCWNGHJFK-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.99
Rot. Bonds6

About 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide (PubChem CID 106002777) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
PubChem CID106002777
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(CN)oc2C)c1
InChIInChI=1S/C14H18N2O4S/c1-10-14(7-13(8-15)20-10)21(17,18)16-12-5-3-4-11(6-12)9-19-2/h3-7,16H,8-9,15H2,1-2H3
InChIKeyNDIMDHCWNGHJFK-UHFFFAOYSA-N
XLogP1.99
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106067078
2-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-sulfonamide
CID 62158681
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
CID 106062422

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide (CID 106002777) is 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide is COCc1cccc(NS(=O)(=O)c2cc(CN)oc2C)c1.
What is the InChIKey of 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide?
The InChIKey is NDIMDHCWNGHJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-14(7-13(8-15)20-10)21(17,18)16-12-5-3-4-11(6-12)9-19-2/h3-7,16H,8-9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106002777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).