3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide

C14H21ClN2O3S — CID 63678439

IUPAC3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C14H21ClN2O3S/c1-10-6-7-11(21(19,20)17(4)5)8-12(10)16-13(18)14(2,3)9-15/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyFNMRGHDITCHDNH-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.45
Rot. Bonds5

About 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide

3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 63678439) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID63678439
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C14H21ClN2O3S/c1-10-6-7-11(21(19,20)17(4)5)8-12(10)16-13(18)14(2,3)9-15/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyFNMRGHDITCHDNH-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.45
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

(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
CID 43361881
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide (CID 63678439) is 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is FNMRGHDITCHDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10-6-7-11(21(19,20)17(4)5)8-12(10)16-13(18)14(2,3)9-15/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide?
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 332.85 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63678439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).