5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide

C12H11BrClFN2O3S — CID 106087695

IUPAC5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H11BrClFN2O3S/c1-6-11(4-8(5-16)20-6)21(18,19)17-12-9(13)2-7(15)3-10(12)14/h2-4,17H,5,16H2,1H3
InChIKeyOIFCMOQCGPYVJX-UHFFFAOYSA-N
MW397.65 g/mol
LogP3.40
Rot. Bonds4

About 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide (PubChem CID 106087695) has the molecular formula C12H11BrClFN2O3S and a molecular weight of 397.65 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
PubChem CID106087695
Molecular FormulaC12H11BrClFN2O3S
Molecular Weight397.65 g/mol
Exact Mass395.93
IUPAC Name5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H11BrClFN2O3S/c1-6-11(4-8(5-16)20-6)21(18,19)17-12-9(13)2-7(15)3-10(12)14/h2-4,17H,5,16H2,1H3
InChIKeyOIFCMOQCGPYVJX-UHFFFAOYSA-N
XLogP3.40
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
CID 106072933
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
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide (CID 106087695) is 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is OIFCMOQCGPYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2O3S/c1-6-11(4-8(5-16)20-6)21(18,19)17-12-9(13)2-7(15)3-10(12)14/h2-4,17H,5,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 397.65 g/mol, XLogP of 3.40, 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-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106087695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).