2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide

C12H18Cl2N2O2S — CID 61114749

IUPAC2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-8(2)4-5-16(3)19(17,18)12-10(14)6-9(13)7-11(12)15/h6-8H,4-5,15H2,1-3H3
InChIKeySIFJEQQEIJMRDB-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide

2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61114749) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61114749
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-8(2)4-5-16(3)19(17,18)12-10(14)6-9(13)7-11(12)15/h6-8H,4-5,15H2,1-3H3
InChIKeySIFJEQQEIJMRDB-UHFFFAOYSA-N
XLogP3.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.24
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

2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402
3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
CID 103052137
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 43587535
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61114749) is 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is SIFJEQQEIJMRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-8(2)4-5-16(3)19(17,18)12-10(14)6-9(13)7-11(12)15/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61114749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).