5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide

C13H15ClN2O3S — CID 106057339

IUPAC5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H15ClN2O3S/c1-8-11(14)4-3-5-12(8)16-20(17,18)13-6-10(7-15)19-9(13)2/h3-6,16H,7,15H2,1-2H3
InChIKeyAKPYKKWPLAAQCO-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.81
Rot. Bonds4

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

5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide (PubChem CID 106057339) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
PubChem CID106057339
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H15ClN2O3S/c1-8-11(14)4-3-5-12(8)16-20(17,18)13-6-10(7-15)19-9(13)2/h3-6,16H,7,15H2,1-2H3
InChIKeyAKPYKKWPLAAQCO-UHFFFAOYSA-N
XLogP2.81
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107309159
N-(3-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163413
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106087695
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
CID 106002777

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide (CID 106057339) is 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is AKPYKKWPLAAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-8-11(14)4-3-5-12(8)16-20(17,18)13-6-10(7-15)19-9(13)2/h3-6,16H,7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106057339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).