2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C13H14ClNO3S — CID 7937794

IUPAC2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO3S/c1-10-7-8-11(18-10)9-15(2)19(16,17)13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3
InChIKeyZFDDLZBQEIBYGZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.06
Rot. Bonds4

About 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 7937794) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID7937794
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO3S/c1-10-7-8-11(18-10)9-15(2)19(16,17)13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3
InChIKeyZFDDLZBQEIBYGZ-UHFFFAOYSA-N
XLogP3.06
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55871150
4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526057
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79885779
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939
4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79184917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 7937794) is 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZFDDLZBQEIBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-10-7-8-11(18-10)9-15(2)19(16,17)13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 7937794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).