5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide

C19H19Cl2N3O4S — CID 2330006

IUPAC5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H19Cl2N3O4S/c1-13(25)23-8-10-24(11-9-23)19(26)14-2-7-17(21)18(12-14)29(27,28)22-16-5-3-15(20)4-6-16/h2-7,12,22H,8-11H2,1H3
InChIKeyMATNZMVERJRARW-UHFFFAOYSA-N
MW456.35 g/mol
LogP3.10
Rot. Bonds4

About 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide

5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 2330006) has the molecular formula C19H19Cl2N3O4S and a molecular weight of 456.35 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID2330006
Molecular FormulaC19H19Cl2N3O4S
Molecular Weight456.35 g/mol
Exact Mass455.05
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H19Cl2N3O4S/c1-13(25)23-8-10-24(11-9-23)19(26)14-2-7-17(21)18(12-14)29(27,28)22-16-5-3-15(20)4-6-16/h2-7,12,22H,8-11H2,1H3
InChIKeyMATNZMVERJRARW-UHFFFAOYSA-N
XLogP3.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 4192101
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43009939
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78798212
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25041601
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,5-dichlorobenzenesulfonamide
CID 16943714

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide (CID 2330006) is 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide is CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is MATNZMVERJRARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4S/c1-13(25)23-8-10-24(11-9-23)19(26)14-2-7-17(21)18(12-14)29(27,28)22-16-5-3-15(20)4-6-16/h2-7,12,22H,8-11H2,1H3.
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 456.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 2330006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).