2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C13H12Cl3NO3S — CID 55871150

IUPAC2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C13H12Cl3NO3S/c1-8-3-4-10(20-8)7-17(2)21(18,19)13-11(15)5-9(14)6-12(13)16/h3-6H,7H2,1-2H3
InChIKeyWHNUICVVZHPMIP-UHFFFAOYSA-N
MW368.67 g/mol
LogP4.37
Rot. Bonds4

About 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 55871150) has the molecular formula C13H12Cl3NO3S and a molecular weight of 368.67 g/mol. Its IUPAC name is 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID55871150
Molecular FormulaC13H12Cl3NO3S
Molecular Weight368.67 g/mol
Exact Mass366.96
IUPAC Name2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C13H12Cl3NO3S/c1-8-3-4-10(20-8)7-17(2)21(18,19)13-11(15)5-9(14)6-12(13)16/h3-6H,7H2,1-2H3
InChIKeyWHNUICVVZHPMIP-UHFFFAOYSA-N
XLogP4.37
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526057
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 7937794
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79885779
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
4-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phthalic acid
CID 154878088
2,4,6-trichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64512691
4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79184917
5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
CID 136513753
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 55871150) is 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is WHNUICVVZHPMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NO3S/c1-8-3-4-10(20-8)7-17(2)21(18,19)13-11(15)5-9(14)6-12(13)16/h3-6H,7H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 368.67 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55871150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).