2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H19Cl2N3O2S — CID 43255890

IUPAC2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O2S/c1-17-5-3-10(4-6-17)18(2)21(19,20)13-11(15)7-9(14)8-12(13)16/h7-8,10H,3-6,16H2,1-2H3
InChIKeyPRXFZOARCMVSDD-UHFFFAOYSA-N
MW352.29 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 43255890) has the molecular formula C13H19Cl2N3O2S and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID43255890
Molecular FormulaC13H19Cl2N3O2S
Molecular Weight352.29 g/mol
Exact Mass351.06
IUPAC Name2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O2S/c1-17-5-3-10(4-6-17)18(2)21(19,20)13-11(15)7-9(14)8-12(13)16/h7-8,10H,3-6,16H2,1-2H3
InChIKeyPRXFZOARCMVSDD-UHFFFAOYSA-N
XLogP2.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.29
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

3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 43255653
2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 63402311
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 43587535
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 43255890) is 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is PRXFZOARCMVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2S/c1-17-5-3-10(4-6-17)18(2)21(19,20)13-11(15)7-9(14)8-12(13)16/h7-8,10H,3-6,16H2,1-2H3.
What are the key properties of 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 352.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 43255890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).