(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide

C14H10Cl2NO3S- — CID 4745426

IUPAC(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide
SMILESCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-8-11(15)5-6-13(14)16/h2-8H,1H3/q-1
InChIKeyCBMWTWIMCYEMJU-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.59
Rot. Bonds4

About (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide

(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide (PubChem CID 4745426) has the molecular formula C14H10Cl2NO3S- and a molecular weight of 343.21 g/mol. Its IUPAC name is (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide.

Molecular Properties

Compound Name(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide
PubChem CID4745426
Molecular FormulaC14H10Cl2NO3S-
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC Name(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide
SMILESCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-8-11(15)5-6-13(14)16/h2-8H,1H3/q-1
InChIKeyCBMWTWIMCYEMJU-UHFFFAOYSA-N
XLogP4.59
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2,5-dichlorophenyl)sulfonylazanide
CID 4744428
1-[3-(2,5-dichlorophenyl)phenyl]ethanone
CID 39232724
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
CID 64644275
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
CID 87064436
CID 87064436
1-[4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone
CID 25336969
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093

Frequently Asked Questions

What is the IUPAC name of (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide?
The IUPAC name of (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide (CID 4745426) is (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide.
What is the SMILES notation for (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide?
The canonical SMILES for (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide is CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide?
The InChIKey is CBMWTWIMCYEMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-8-11(15)5-6-13(14)16/h2-8H,1H3/q-1.
What are the key properties of (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide?
(3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide has a molecular weight of 343.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylphenyl)-(2,5-dichlorophenyl)sulfonylazanide is sourced from PubChem (CID 4745426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).