N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide

C10H9ClN2O3S — CID 23592519

IUPACN-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)CC#N)ccc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-17(15,16)13-9-6-7(2-3-8(9)11)10(14)4-5-12/h2-3,6,13H,4H2,1H3
InChIKeyDIPNQEQITZITQO-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.81
Rot. Bonds4

About N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide

N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide (PubChem CID 23592519) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
PubChem CID23592519
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC NameN-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)CC#N)ccc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-17(15,16)13-9-6-7(2-3-8(9)11)10(14)4-5-12/h2-3,6,13H,4H2,1H3
InChIKeyDIPNQEQITZITQO-UHFFFAOYSA-N
XLogP1.81
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide (CID 23592519) is N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)CC#N)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide?
The InChIKey is DIPNQEQITZITQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-17(15,16)13-9-6-7(2-3-8(9)11)10(14)4-5-12/h2-3,6,13H,4H2,1H3.
What are the key properties of N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide?
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide has a molecular weight of 272.71 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide is sourced from PubChem (CID 23592519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).