5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide

C12H11Br2ClN2O3S — CID 106078945

IUPAC5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(CN)oc2Br)cc1Cl
InChIInChI=1S/C12H11Br2ClN2O3S/c1-6-2-8(13)10(4-9(6)15)17-21(18,19)11-3-7(5-16)20-12(11)14/h2-4,17H,5,16H2,1H3
InChIKeyRMTZVKLMAPHLRG-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.03
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide (PubChem CID 106078945) has the molecular formula C12H11Br2ClN2O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
PubChem CID106078945
Molecular FormulaC12H11Br2ClN2O3S
Molecular Weight458.56 g/mol
Exact Mass455.85
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(CN)oc2Br)cc1Cl
InChIInChI=1S/C12H11Br2ClN2O3S/c1-6-2-8(13)10(4-9(6)15)17-21(18,19)11-3-7(5-16)20-12(11)14/h2-4,17H,5,16H2,1H3
InChIKeyRMTZVKLMAPHLRG-UHFFFAOYSA-N
XLogP4.03
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
CID 106057989
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide (CID 106078945) is 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cc(CN)oc2Br)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide?
The InChIKey is RMTZVKLMAPHLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2ClN2O3S/c1-6-2-8(13)10(4-9(6)15)17-21(18,19)11-3-7(5-16)20-12(11)14/h2-4,17H,5,16H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide has a molecular weight of 458.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide is sourced from PubChem (CID 106078945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).