2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

C20H20Cl3N3O3S — CID 30866694

IUPAC2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20Cl3N3O3S/c21-13-2-1-3-15(10-13)25-6-8-26(9-7-25)20(27)16-11-19(18(23)12-17(16)22)30(28,29)24-14-4-5-14/h1-3,10-12,14,24H,4-9H2
InChIKeyCAPPKJIOWCRWKY-UHFFFAOYSA-N
MW488.82 g/mol
LogP4.05
Rot. Bonds5

About 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 30866694) has the molecular formula C20H20Cl3N3O3S and a molecular weight of 488.82 g/mol. Its IUPAC name is 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
PubChem CID30866694
Molecular FormulaC20H20Cl3N3O3S
Molecular Weight488.82 g/mol
Exact Mass487.03
IUPAC Name2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20Cl3N3O3S/c21-13-2-1-3-15(10-13)25-6-8-26(9-7-25)20(27)16-11-19(18(23)12-17(16)22)30(28,29)24-14-4-5-14/h1-3,10-12,14,24H,4-9H2
InChIKeyCAPPKJIOWCRWKY-UHFFFAOYSA-N
XLogP4.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 39911331
2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 22109871
2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55358300
4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26696137
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108565780
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (CID 30866694) is 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is CAPPKJIOWCRWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O3S/c21-13-2-1-3-15(10-13)25-6-8-26(9-7-25)20(27)16-11-19(18(23)12-17(16)22)30(28,29)24-14-4-5-14/h1-3,10-12,14,24H,4-9H2.
What are the key properties of 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 488.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 30866694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).