N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide

C13H18Cl2N2O3S — CID 43246574

IUPACN-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
SMILESCc1c(S(N)(=O)=O)cc(Cl)c(NC(=O)CC(C)(C)C)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-7-9(21(16,19)20)5-8(14)12(11(7)15)17-10(18)6-13(2,3)4/h5H,6H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyCSRZNCMLJRLLQQ-UHFFFAOYSA-N
MW353.27 g/mol
LogP3.32
Rot. Bonds3

About N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide

N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide (PubChem CID 43246574) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
PubChem CID43246574
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
SMILESCc1c(S(N)(=O)=O)cc(Cl)c(NC(=O)CC(C)(C)C)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-7-9(21(16,19)20)5-8(14)12(11(7)15)17-10(18)6-13(2,3)4/h5H,6H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyCSRZNCMLJRLLQQ-UHFFFAOYSA-N
XLogP3.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
CID 43246587
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 65216272
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
CID 58097339
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
2-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)acetamide
CID 10833411
N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
CID 62083909
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide (CID 43246574) is N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide is Cc1c(S(N)(=O)=O)cc(Cl)c(NC(=O)CC(C)(C)C)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
The InChIKey is CSRZNCMLJRLLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-7-9(21(16,19)20)5-8(14)12(11(7)15)17-10(18)6-13(2,3)4/h5H,6H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide?
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide has a molecular weight of 353.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 43246574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).