4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide

C15H24ClN3O3S — CID 126806002

IUPAC4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
SMILESCOCCN(C)S(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1
InChIInChI=1S/C15H24ClN3O3S/c1-13-5-4-6-14(16)15(13)18-7-9-19(10-8-18)23(20,21)17(2)11-12-22-3/h4-6H,7-12H2,1-3H3
InChIKeyFVKRMCHTZGSIEB-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.59
Rot. Bonds6

About 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide

4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 126806002) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
PubChem CID126806002
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
SMILESCOCCN(C)S(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1
InChIInChI=1S/C15H24ClN3O3S/c1-13-5-4-6-14(16)15(13)18-7-9-19(10-8-18)23(20,21)17(2)11-12-22-3/h4-6H,7-12H2,1-3H3
InChIKeyFVKRMCHTZGSIEB-UHFFFAOYSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide (CID 126806002) is 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide is COCCN(C)S(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1.
What is the InChIKey of 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is FVKRMCHTZGSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S/c1-13-5-4-6-14(16)15(13)18-7-9-19(10-8-18)23(20,21)17(2)11-12-22-3/h4-6H,7-12H2,1-3H3.
What are the key properties of 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide?
4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 361.90 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 126806002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).