4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide

C13H20ClN3O2S — CID 126808205

IUPAC4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-3-15-20(18,19)17-9-7-16(8-10-17)13-11(2)5-4-6-12(13)14/h4-6,15H,3,7-10H2,1-2H3
InChIKeyDQOSOZGNTAIQNF-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.62
Rot. Bonds4

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

4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide (PubChem CID 126808205) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide
PubChem CID126808205
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-3-15-20(18,19)17-9-7-16(8-10-17)13-11(2)5-4-6-12(13)14/h4-6,15H,3,7-10H2,1-2H3
InChIKeyDQOSOZGNTAIQNF-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
4-(2-chloro-6-methylphenyl)-N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 126806002
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide
CID 110608494
N-ethylazepane-1-sulfonamide
CID 43213421
1-(2-chloro-6-methylphenyl)-N-ethylpiperidin-3-amine
CID 66251825
1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 169336690
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
2-(2-chlorophenyl)-N-ethylmorpholine-4-sulfonamide
CID 110609436
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide (CID 126808205) is 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide is CCNS(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1.
What is the InChIKey of 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
The InChIKey is DQOSOZGNTAIQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-3-15-20(18,19)17-9-7-16(8-10-17)13-11(2)5-4-6-12(13)14/h4-6,15H,3,7-10H2,1-2H3.
What are the key properties of 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide?
4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide is sourced from PubChem (CID 126808205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).