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

C13H14Cl2N2O3S — CID 43526057

IUPAC4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(N)cc2Cl)o1
InChIInChI=1S/C13H14Cl2N2O3S/c1-8-3-4-10(20-8)7-17(2)21(18,19)13-11(14)5-9(16)6-12(13)15/h3-6H,7,16H2,1-2H3
InChIKeyOSNQLCJQYMQFQQ-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.30
Rot. Bonds4

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

4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 43526057) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID43526057
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(N)cc2Cl)o1
InChIInChI=1S/C13H14Cl2N2O3S/c1-8-3-4-10(20-8)7-17(2)21(18,19)13-11(14)5-9(16)6-12(13)15/h3-6H,7,16H2,1-2H3
InChIKeyOSNQLCJQYMQFQQ-UHFFFAOYSA-N
XLogP3.30
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55871150
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 7937794
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
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
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
4-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phthalic acid
CID 154878088
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 43526057) is 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(N)cc2Cl)o1.
What is the InChIKey of 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is OSNQLCJQYMQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-8-3-4-10(20-8)7-17(2)21(18,19)13-11(14)5-9(16)6-12(13)15/h3-6H,7,16H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 349.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 43526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).