4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C20H23Cl2N3O3S — CID 26696137

IUPAC4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14(2)23-29(27,28)17-6-7-19(22)18(13-17)20(26)25-10-8-24(9-11-25)16-5-3-4-15(21)12-16/h3-7,12-14,23H,8-11H2,1-2H3
InChIKeyLPYMBPJLWCJECI-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.64
Rot. Bonds5

About 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 26696137) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID26696137
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC Name4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14(2)23-29(27,28)17-6-7-19(22)18(13-17)20(26)25-10-8-24(9-11-25)16-5-3-4-15(21)12-16/h3-7,12-14,23H,8-11H2,1-2H3
InChIKeyLPYMBPJLWCJECI-UHFFFAOYSA-N
XLogP3.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 55469910
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 30866694
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38600840
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide
CID 9146351
4-chloro-3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55721017
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
3-chloro-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 126393741
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
4-chloro-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 39556509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 26696137) is 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LPYMBPJLWCJECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-14(2)23-29(27,28)17-6-7-19(22)18(13-17)20(26)25-10-8-24(9-11-25)16-5-3-4-15(21)12-16/h3-7,12-14,23H,8-11H2,1-2H3.
What are the key properties of 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 456.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 26696137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).