4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43258005

IUPAC4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(9-10-5-3-2-4-6-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h2-8H,9,17H2,1H3
InChIKeySKBZOGVMNYPPKH-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.40
Rot. Bonds4

About 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide

4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide (PubChem CID 43258005) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
PubChem CID43258005
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(9-10-5-3-2-4-6-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h2-8H,9,17H2,1H3
InChIKeySKBZOGVMNYPPKH-UHFFFAOYSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526057
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide (CID 43258005) is 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide?
The InChIKey is SKBZOGVMNYPPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-18(9-10-5-3-2-4-6-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h2-8H,9,17H2,1H3.
What are the key properties of 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide?
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43258005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).