3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide

C11H12Cl2N2O2S — CID 79585540

IUPAC3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C11H12Cl2N2O2S/c1-8(5-12)7-18(16,17)15-10-2-3-11(13)9(4-10)6-14/h2-4,8,15H,5,7H2,1H3
InChIKeyUJQNPWJUUHPWCA-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.83
Rot. Bonds5

About 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 79585540) has the molecular formula C11H12Cl2N2O2S and a molecular weight of 307.20 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
PubChem CID79585540
Molecular FormulaC11H12Cl2N2O2S
Molecular Weight307.20 g/mol
Exact Mass306.00
IUPAC Name3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C11H12Cl2N2O2S/c1-8(5-12)7-18(16,17)15-10-2-3-11(13)9(4-10)6-14/h2-4,8,15H,5,7H2,1H3
InChIKeyUJQNPWJUUHPWCA-UHFFFAOYSA-N
XLogP2.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.83
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

3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
CID 43361980
3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585676
N-(5-bromo-2-cyanophenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 107800429
2-chloro-4-(3-chloro-2-methylpropyl)sulfonylbenzonitrile
CID 66105567
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
1-chloro-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 63664296
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
1-bromo-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 83084506
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide (CID 79585540) is 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is UJQNPWJUUHPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2S/c1-8(5-12)7-18(16,17)15-10-2-3-11(13)9(4-10)6-14/h2-4,8,15H,5,7H2,1H3.
What are the key properties of 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 307.20 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).