N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide

C20H16ClNO5S2 — CID 1101031

IUPACN-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H16ClNO5S2/c1-14(23)15-5-9-17(10-6-15)22-29(26,27)20-4-2-3-19(13-20)28(24,25)18-11-7-16(21)8-12-18/h2-13,22H,1H3
InChIKeyHDXNAHDUIZMOSY-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.18
Rot. Bonds6

About N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide

N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide (PubChem CID 1101031) has the molecular formula C20H16ClNO5S2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide
PubChem CID1101031
Molecular FormulaC20H16ClNO5S2
Molecular Weight449.94 g/mol
Exact Mass449.02
IUPAC NameN-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H16ClNO5S2/c1-14(23)15-5-9-17(10-6-15)22-29(26,27)20-4-2-3-19(13-20)28(24,25)18-11-7-16(21)8-12-18/h2-13,22H,1H3
InChIKeyHDXNAHDUIZMOSY-UHFFFAOYSA-N
XLogP4.18
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11362090
S-[2-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11406470
S-[2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11574525
S-[2-[4-(benzenesulfonamido)phenyl]-2-oxoethyl] ethanethioate
CID 11638839
S-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11667696
S-[2-[4-[(3-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 44571772
2-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxoethyl ethyl trithiocarbonate
CID 24894776
2-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxoethyl ethyl trithiocarbonate
CID 24895006
N~1~,N~3~-bis(4-acetylphenyl)-4-methyl-1,3-benzenedisulfonamide
CID 992217
N-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 15176581
N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide
CID 134133105
N-(3-acetylphenyl)-4-chlorobenzenesulfonamide
CID 307391

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide (CID 1101031) is N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The InChIKey is HDXNAHDUIZMOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5S2/c1-14(23)15-5-9-17(10-6-15)22-29(26,27)20-4-2-3-19(13-20)28(24,25)18-11-7-16(21)8-12-18/h2-13,22H,1H3.
What are the key properties of N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide?
N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide has a molecular weight of 449.94 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-chlorophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 1101031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).