N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide

C10H9Cl2NO3S — CID 841949

IUPACN-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide
SMILESCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9Cl2NO3S/c1-7(14)13-10(9(11)12)17(15,16)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeySMVUYUWPKIKFKE-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide

N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide (PubChem CID 841949) has the molecular formula C10H9Cl2NO3S and a molecular weight of 294.16 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide
PubChem CID841949
Molecular FormulaC10H9Cl2NO3S
Molecular Weight294.16 g/mol
Exact Mass292.97
IUPAC NameN-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide
SMILESCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9Cl2NO3S/c1-7(14)13-10(9(11)12)17(15,16)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeySMVUYUWPKIKFKE-UHFFFAOYSA-N
XLogP2.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide?
The IUPAC name of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide (CID 841949) is N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide is CC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide?
The InChIKey is SMVUYUWPKIKFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S/c1-7(14)13-10(9(11)12)17(15,16)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide?
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide has a molecular weight of 294.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide is sourced from PubChem (CID 841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).