1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine

C14H21ClN2O3S — CID 110757988

IUPAC1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-4-20-13-9-11(2)14(10-12(13)15)21(18,19)17-7-5-16(3)6-8-17/h9-10H,4-8H2,1-3H3
InChIKeyMJPKFEBRCHXTJW-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.98
Rot. Bonds4

About 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine

1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 110757988) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID110757988
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-4-20-13-9-11(2)14(10-12(13)15)21(18,19)17-7-5-16(3)6-8-17/h9-10H,4-8H2,1-3H3
InChIKeyMJPKFEBRCHXTJW-UHFFFAOYSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2238311
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
CID 2990942
1-[4-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796584
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine (CID 110757988) is 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine is CCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is MJPKFEBRCHXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-20-13-9-11(2)14(10-12(13)15)21(18,19)17-7-5-16(3)6-8-17/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine?
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 332.85 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 110757988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).