N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide

C11H14ClNO3S — CID 47108731

IUPACN-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-17(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyDHHYTUFOWSXMEY-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.19
Rot. Bonds2

About N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide

N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide (PubChem CID 47108731) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
PubChem CID47108731
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-17(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyDHHYTUFOWSXMEY-UHFFFAOYSA-N
XLogP2.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide (CID 47108731) is N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
The InChIKey is DHHYTUFOWSXMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-17(15,16)9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide?
N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide has a molecular weight of 275.76 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2,2-dimethylpropanamide is sourced from PubChem (CID 47108731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).