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

C12H12ClIN2O3S — CID 106006619

IUPAC5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H12ClIN2O3S/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-3-2-8(14)4-10(11)13/h2-5,16H,6,15H2,1H3
InChIKeyNQWKFLCYFUPPMN-UHFFFAOYSA-N
MW426.66 g/mol
LogP3.11
Rot. Bonds4

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

5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide (PubChem CID 106006619) has the molecular formula C12H12ClIN2O3S and a molecular weight of 426.66 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
PubChem CID106006619
Molecular FormulaC12H12ClIN2O3S
Molecular Weight426.66 g/mol
Exact Mass425.93
IUPAC Name5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H12ClIN2O3S/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-3-2-8(14)4-10(11)13/h2-5,16H,6,15H2,1H3
InChIKeyNQWKFLCYFUPPMN-UHFFFAOYSA-N
XLogP3.11
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.66
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006581
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
4-(aminomethyl)-2-bromo-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006535
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide
CID 107553261
5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106087695
5-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylfuran-3-sulfonamide
CID 106055528
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide (CID 106006619) is 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is NQWKFLCYFUPPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2O3S/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-3-2-8(14)4-10(11)13/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 426.66 g/mol, XLogP of 3.11, 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-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106006619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).