3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

C19H17ClFN3O2S — CID 122283202

IUPAC3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClFN3O2S/c20-15-11-13(8-9-16(15)21)27(25,26)23-17-6-2-1-5-14(17)18-12-24-10-4-3-7-19(24)22-18/h1-2,5-6,8-9,11-12,23H,3-4,7,10H2
InChIKeyGSAFYYFNIYSATC-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.48
Rot. Bonds4

About 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 122283202) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID122283202
Molecular FormulaC19H17ClFN3O2S
Molecular Weight405.88 g/mol
Exact Mass405.07
IUPAC Name3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClFN3O2S/c20-15-11-13(8-9-16(15)21)27(25,26)23-17-6-2-1-5-14(17)18-12-24-10-4-3-7-19(24)22-18/h1-2,5-6,8-9,11-12,23H,3-4,7,10H2
InChIKeyGSAFYYFNIYSATC-UHFFFAOYSA-N
XLogP4.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283171
4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283176
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 119106018
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-sulfonamide
CID 122283247
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]morpholine-4-sulfonamide
CID 122283282
2-(2-chlorophenyl)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 119105995
1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122283263
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
3,4-difluoro-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide
CID 31046200
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122282712
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122282784
2-(4-chlorophenoxy)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122282914

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (CID 122283202) is 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is GSAFYYFNIYSATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c20-15-11-13(8-9-16(15)21)27(25,26)23-17-6-2-1-5-14(17)18-12-24-10-4-3-7-19(24)22-18/h1-2,5-6,8-9,11-12,23H,3-4,7,10H2.
What are the key properties of 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 405.88 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122283202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).