1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine

C16H25ClN2O4S — CID 120726028

IUPAC1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine
SMILESCOCC(C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C16H25ClN2O4S/c1-11(10-22-4)23-15-6-5-14(17)9-16(15)24(20,21)19-8-7-18-12(2)13(19)3/h5-6,9,11-13,18H,7-8,10H2,1-4H3
InChIKeyPXTPVIOBBOJVAX-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.12
Rot. Bonds6

About 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine

1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine (PubChem CID 120726028) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine
PubChem CID120726028
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine
SMILESCOCC(C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C16H25ClN2O4S/c1-11(10-22-4)23-15-6-5-14(17)9-16(15)24(20,21)19-8-7-18-12(2)13(19)3/h5-6,9,11-13,18H,7-8,10H2,1-4H3
InChIKeyPXTPVIOBBOJVAX-UHFFFAOYSA-N
XLogP2.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711824
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
1-[1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710914
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120725618
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
CID 120894308
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(4-bromo-5-fluoro-2-methoxyphenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120726122

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine (CID 120726028) is 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine is COCC(C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCNC(C)C1C.
What is the InChIKey of 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine?
The InChIKey is PXTPVIOBBOJVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O4S/c1-11(10-22-4)23-15-6-5-14(17)9-16(15)24(20,21)19-8-7-18-12(2)13(19)3/h5-6,9,11-13,18H,7-8,10H2,1-4H3.
What are the key properties of 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine?
1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine has a molecular weight of 376.91 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120726028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).