N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide

C12H12INO3S — CID 3820660

IUPACN-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H12INO3S/c1-14(9-11-3-2-8-17-11)18(15,16)12-6-4-10(13)5-7-12/h2-8H,9H2,1H3
InChIKeyGWKYBRKIEXIFNO-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.70
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide (PubChem CID 3820660) has the molecular formula C12H12INO3S and a molecular weight of 377.20 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
PubChem CID3820660
Molecular FormulaC12H12INO3S
Molecular Weight377.20 g/mol
Exact Mass376.96
IUPAC NameN-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H12INO3S/c1-14(9-11-3-2-8-17-11)18(15,16)12-6-4-10(13)5-7-12/h2-8H,9H2,1H3
InChIKeyGWKYBRKIEXIFNO-UHFFFAOYSA-N
XLogP2.70
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 7656195
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide (CID 3820660) is N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide?
The InChIKey is GWKYBRKIEXIFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO3S/c1-14(9-11-3-2-8-17-11)18(15,16)12-6-4-10(13)5-7-12/h2-8H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide has a molecular weight of 377.20 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide is sourced from PubChem (CID 3820660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).