1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

C18H20ClN5O2S — CID 162656068

IUPAC1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3
InChIKeyGATDTMAYFGZGAV-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162656068) has the molecular formula C18H20ClN5O2S and a molecular weight of 405.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162656068
Molecular FormulaC18H20ClN5O2S
Molecular Weight405.91 g/mol
Exact Mass405.10
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3
InChIKeyGATDTMAYFGZGAV-UHFFFAOYSA-N
XLogP2.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

DB-02197
CID 5288527
4-((4-(1-Cyclopropyl-2-methyl-1H-imidazol-5-YL)pyrimidin-2-YL)amino)-N-methylbenzenesulfonamide
CID 24901723
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162656068) is 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is CCc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is GATDTMAYFGZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2S/c1-2-16-22-17-15(6-7-21-18(17)23-10-8-20-9-11-23)24(16)27(25,26)14-5-3-4-13(19)12-14/h3-7,12,20H,2,8-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 405.91 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2-ethyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162656068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).