5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide

C14H17BrN2O3S — CID 106072933

IUPAC5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(CN)oc2C)c(Br)c1
InChIInChI=1S/C14H17BrN2O3S/c1-8-4-9(2)14(12(15)5-8)17-21(18,19)13-6-11(7-16)20-10(13)3/h4-6,17H,7,16H2,1-3H3
InChIKeySQJGLMHNYLBVLC-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.23
Rot. Bonds4

About 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide (PubChem CID 106072933) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
PubChem CID106072933
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(CN)oc2C)c(Br)c1
InChIInChI=1S/C14H17BrN2O3S/c1-8-4-9(2)14(12(15)5-8)17-21(18,19)13-6-11(7-16)20-10(13)3/h4-6,17H,7,16H2,1-3H3
InChIKeySQJGLMHNYLBVLC-UHFFFAOYSA-N
XLogP3.23
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106087695
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)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide (CID 106072933) is 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2cc(CN)oc2C)c(Br)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is SQJGLMHNYLBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-8-4-9(2)14(12(15)5-8)17-21(18,19)13-6-11(7-16)20-10(13)3/h4-6,17H,7,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 373.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106072933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).