4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43258171

IUPAC4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-5-11(15)14(13(8)16)18-21(19,20)12-6-4-10(17)7-9(12)2/h3-7,18H,17H2,1-2H3
InChIKeyJGKIGDBUQAUZLM-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.99
Rot. Bonds3

About 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide

4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 43258171) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID43258171
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-5-11(15)14(13(8)16)18-21(19,20)12-6-4-10(17)7-9(12)2/h3-7,18H,17H2,1-2H3
InChIKeyJGKIGDBUQAUZLM-UHFFFAOYSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479654
N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62086054
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide (CID 43258171) is 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is JGKIGDBUQAUZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-3-5-11(15)14(13(8)16)18-21(19,20)12-6-4-10(17)7-9(12)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide?
4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43258171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).