N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide

C14H19NO3S — CID 107000679

IUPACN-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)C2CC2(C)C)cc1
InChIInChI=1S/C14H19NO3S/c1-4-19(17,18)15-11-7-5-10(6-8-11)13(16)12-9-14(12,2)3/h5-8,12,15H,4,9H2,1-3H3
InChIKeyDMZHQDDWACYWHS-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide

N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide (PubChem CID 107000679) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide
PubChem CID107000679
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)C2CC2(C)C)cc1
InChIInChI=1S/C14H19NO3S/c1-4-19(17,18)15-11-7-5-10(6-8-11)13(16)12-9-14(12,2)3/h5-8,12,15H,4,9H2,1-3H3
InChIKeyDMZHQDDWACYWHS-UHFFFAOYSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide (CID 107000679) is N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)C2CC2(C)C)cc1.
What is the InChIKey of N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide?
The InChIKey is DMZHQDDWACYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-4-19(17,18)15-11-7-5-10(6-8-11)13(16)12-9-14(12,2)3/h5-8,12,15H,4,9H2,1-3H3.
What are the key properties of N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide?
N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 107000679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).