1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride

C10H15Cl2N3O2S — CID 71639579

IUPAC1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1ncccc1Cl.Cl
InChIInChI=1S/C10H14ClN3O2S.ClH/c1-8-7-12-5-6-14(8)17(15,16)10-9(11)3-2-4-13-10;/h2-4,8,12H,5-7H2,1H3;1H
InChIKeyAETNOTCTMYAFRE-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.14
Rot. Bonds2

About 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride

1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride (PubChem CID 71639579) has the molecular formula C10H15Cl2N3O2S and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
PubChem CID71639579
Molecular FormulaC10H15Cl2N3O2S
Molecular Weight312.22 g/mol
Exact Mass311.03
IUPAC Name1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1ncccc1Cl.Cl
InChIInChI=1S/C10H14ClN3O2S.ClH/c1-8-7-12-5-6-14(8)17(15,16)10-9(11)3-2-4-13-10;/h2-4,8,12H,5-7H2,1H3;1H
InChIKeyAETNOTCTMYAFRE-UHFFFAOYSA-N
XLogP1.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 97163398
2-(2-methylpiperazin-1-yl)sulfonylpyridine-3-carbonitrile;hydrochloride
CID 71639577
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
CID 82755095
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
4-chloro-3-[(2S)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 82755462
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
8-(2-methylpiperazin-1-yl)sulfonyl-5-nitroquinoline;hydrochloride
CID 120708058
(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
CID 82755471
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
CID 129372961

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride (CID 71639579) is 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride is CC1CNCCN1S(=O)(=O)c1ncccc1Cl.Cl.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride?
The InChIKey is AETNOTCTMYAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S.ClH/c1-8-7-12-5-6-14(8)17(15,16)10-9(11)3-2-4-13-10;/h2-4,8,12H,5-7H2,1H3;1H.
What are the key properties of 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride?
1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride has a molecular weight of 312.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 71639579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).