2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol

C11H17ClN4O3S — CID 64606200

IUPAC2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
SMILESNc1ncc(S(=O)(=O)N2CCN(CCO)CC2)cc1Cl
InChIInChI=1S/C11H17ClN4O3S/c12-10-7-9(8-14-11(10)13)20(18,19)16-3-1-15(2-4-16)5-6-17/h7-8,17H,1-6H2,(H2,13,14)
InChIKeyLSFGZQYTACQNGD-UHFFFAOYSA-N
MW320.80 g/mol
LogP-0.38
Rot. Bonds4

About 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol

2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol (PubChem CID 64606200) has the molecular formula C11H17ClN4O3S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
PubChem CID64606200
Molecular FormulaC11H17ClN4O3S
Molecular Weight320.80 g/mol
Exact Mass320.07
IUPAC Name2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
SMILESNc1ncc(S(=O)(=O)N2CCN(CCO)CC2)cc1Cl
InChIInChI=1S/C11H17ClN4O3S/c12-10-7-9(8-14-11(10)13)20(18,19)16-3-1-15(2-4-16)5-6-17/h7-8,17H,1-6H2,(H2,13,14)
InChIKeyLSFGZQYTACQNGD-UHFFFAOYSA-N
XLogP-0.38
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 103833928
2-[4-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501308
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79180594
5-(4-tert-butylpiperidin-1-yl)sulfonyl-3-chloropyridin-2-amine
CID 64601666
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538339
2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601329
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107223463
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol (CID 64606200) is 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol is Nc1ncc(S(=O)(=O)N2CCN(CCO)CC2)cc1Cl.
What is the InChIKey of 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol?
The InChIKey is LSFGZQYTACQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3S/c12-10-7-9(8-14-11(10)13)20(18,19)16-3-1-15(2-4-16)5-6-17/h7-8,17H,1-6H2,(H2,13,14).
What are the key properties of 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol?
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol has a molecular weight of 320.80 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 64606200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).