5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide

C12H10Cl3NO4S — CID 107553261

IUPAC5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl3NO4S/c1-6-12(2-7(5-17)20-6)21(18,19)16-11-4-9(14)8(13)3-10(11)15/h2-4,16-17H,5H2,1H3
InChIKeyYQJARUVDQVCCDM-UHFFFAOYSA-N
MW370.64 g/mol
LogP3.84
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide (PubChem CID 107553261) has the molecular formula C12H10Cl3NO4S and a molecular weight of 370.64 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide
PubChem CID107553261
Molecular FormulaC12H10Cl3NO4S
Molecular Weight370.64 g/mol
Exact Mass368.94
IUPAC Name5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl3NO4S/c1-6-12(2-7(5-17)20-6)21(18,19)16-11-4-9(14)8(13)3-10(11)15/h2-4,16-17H,5H2,1H3
InChIKeyYQJARUVDQVCCDM-UHFFFAOYSA-N
XLogP3.84
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106037010
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107309159
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107416371
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107473844
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide (CID 107553261) is 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide is Cc1oc(CO)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide?
The InChIKey is YQJARUVDQVCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO4S/c1-6-12(2-7(5-17)20-6)21(18,19)16-11-4-9(14)8(13)3-10(11)15/h2-4,16-17H,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide has a molecular weight of 370.64 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide is sourced from PubChem (CID 107553261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).