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

C16H16ClN5O2S — CID 162644347

IUPAC1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)n1cnc2c(N3CCNCC3)nccc21
InChIInChI=1S/C16H16ClN5O2S/c17-12-2-1-3-13(10-12)25(23,24)22-11-20-15-14(22)4-5-19-16(15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2
InChIKeyMMZBVOVVPMVDQY-UHFFFAOYSA-N
MW377.86 g/mol
LogP1.73
Rot. Bonds3

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

1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162644347) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162644347
Molecular FormulaC16H16ClN5O2S
Molecular Weight377.86 g/mol
Exact Mass377.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)n1cnc2c(N3CCNCC3)nccc21
InChIInChI=1S/C16H16ClN5O2S/c17-12-2-1-3-13(10-12)25(23,24)22-11-20-15-14(22)4-5-19-16(15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2
InChIKeyMMZBVOVVPMVDQY-UHFFFAOYSA-N
XLogP1.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

DB-02197
CID 5288527
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
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
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
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. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3e
CID 6539028

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162644347) is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is O=S(=O)(c1cccc(Cl)c1)n1cnc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is MMZBVOVVPMVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c17-12-2-1-3-13(10-12)25(23,24)22-11-20-15-14(22)4-5-19-16(15)21-8-6-18-7-9-21/h1-5,10-11,18H,6-9H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 377.86 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162644347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).