4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide

C13H18Cl2N2O3S — CID 79556557

IUPAC4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCC(CCl)CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(7-14)8-21(19,20)16-12-6-10(15)4-5-11(12)13(18)17(2)3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyIFYNHCZIIIWWPK-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.66
Rot. Bonds6

About 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide

4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 79556557) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID79556557
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCC(CCl)CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(7-14)8-21(19,20)16-12-6-10(15)4-5-11(12)13(18)17(2)3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyIFYNHCZIIIWWPK-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide (CID 79556557) is 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide is CC(CCl)CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is IFYNHCZIIIWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-9(7-14)8-21(19,20)16-12-6-10(15)4-5-11(12)13(18)17(2)3/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide?
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 353.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 79556557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).