N-(2-chlorophenyl)ethanesulfonamide

C8H10ClNO2S — CID 902978

IUPACN-(2-chlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyQBOVKMYRQPSAKN-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.10
Rot. Bonds3

About N-(2-chlorophenyl)ethanesulfonamide

N-(2-chlorophenyl)ethanesulfonamide (PubChem CID 902978) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)ethanesulfonamide
PubChem CID902978
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC NameN-(2-chlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyQBOVKMYRQPSAKN-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)ethanesulfonamide?
The IUPAC name of N-(2-chlorophenyl)ethanesulfonamide (CID 902978) is N-(2-chlorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)ethanesulfonamide?
The InChIKey is QBOVKMYRQPSAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3.
What are the key properties of N-(2-chlorophenyl)ethanesulfonamide?
N-(2-chlorophenyl)ethanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)ethanesulfonamide is sourced from PubChem (CID 902978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).