5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide

C13H15ClN2O4S — CID 106048012

IUPAC5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)oc2C)cc1Cl
InChIInChI=1S/C13H15ClN2O4S/c1-8-13(6-10(7-15)20-8)21(17,18)16-9-3-4-12(19-2)11(14)5-9/h3-6,16H,7,15H2,1-2H3
InChIKeyRFZQLHSPHBGSNY-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.51
Rot. Bonds5

About 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide (PubChem CID 106048012) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
PubChem CID106048012
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)oc2C)cc1Cl
InChIInChI=1S/C13H15ClN2O4S/c1-8-13(6-10(7-15)20-8)21(17,18)16-9-3-4-12(19-2)11(14)5-9/h3-6,16H,7,15H2,1-2H3
InChIKeyRFZQLHSPHBGSNY-UHFFFAOYSA-N
XLogP2.51
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
CID 106048091
5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
CID 106002777
5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106067078
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
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106031218

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide (CID 106048012) is 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(CN)oc2C)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is RFZQLHSPHBGSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-8-13(6-10(7-15)20-8)21(17,18)16-9-3-4-12(19-2)11(14)5-9/h3-6,16H,7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 330.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106048012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).