4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine

C15H20Cl2N2O3S — CID 163308289

IUPAC4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCN(C3CC3)CC2C)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3S/c1-10-9-18(11-3-4-11)5-6-19(10)23(20,21)15-8-12(16)14(22-2)7-13(15)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyRBCHUGBNSSYWHP-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.86
Rot. Bonds4

About 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine

4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine (PubChem CID 163308289) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
PubChem CID163308289
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC Name4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCN(C3CC3)CC2C)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3S/c1-10-9-18(11-3-4-11)5-6-19(10)23(20,21)15-8-12(16)14(22-2)7-13(15)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyRBCHUGBNSSYWHP-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
CID 44787244
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956
(2R)-2-methyl-1,4-bis[(2,4,5-trichlorophenyl)sulfonyl]piperazine
CID 98212086
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086
3-(2,5-dichloro-4-methoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989439
1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119970051
4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine
CID 90566970
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 91948739
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine (CID 163308289) is 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine is COc1cc(Cl)c(S(=O)(=O)N2CCN(C3CC3)CC2C)cc1Cl.
What is the InChIKey of 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
The InChIKey is RBCHUGBNSSYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-10-9-18(11-3-4-11)5-6-19(10)23(20,21)15-8-12(16)14(22-2)7-13(15)17/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine has a molecular weight of 379.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 163308289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).