5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide

C19H16ClN3O4S2 — CID 52712862

IUPAC5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C19H16ClN3O4S2/c1-26-15-6-5-13(22-29(24,25)19-8-7-17(20)28-19)10-16(15)27-12-14-11-23-9-3-2-4-18(23)21-14/h2-11,22H,12H2,1H3
InChIKeyWLCGVGKFYSJZEV-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.44
Rot. Bonds7

About 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 52712862) has the molecular formula C19H16ClN3O4S2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID52712862
Molecular FormulaC19H16ClN3O4S2
Molecular Weight449.94 g/mol
Exact Mass449.03
IUPAC Name5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C19H16ClN3O4S2/c1-26-15-6-5-13(22-29(24,25)19-8-7-17(20)28-19)10-16(15)27-12-14-11-23-9-3-2-4-18(23)21-14/h2-11,22H,12H2,1H3
InChIKeyWLCGVGKFYSJZEV-UHFFFAOYSA-N
XLogP4.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]piperidine-1-sulfonamide
CID 155948919
2-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-methylpropanamide
CID 119859743
4-(difluoromethylsulfonyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 55950861
3-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119859749
3-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55826214
2-butyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55949084
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859782
4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 52668432
3-acetamido-3-(4-chlorophenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55949718
5-chloro-N-imidazo[1,2-a]pyridin-6-ylthiophene-2-sulfonamide
CID 110734785
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-pyrrolidin-2-ylacetamide
CID 119859777
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55949341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide (CID 52712862) is 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OCc1cn2ccccc2n1.
What is the InChIKey of 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is WLCGVGKFYSJZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S2/c1-26-15-6-5-13(22-29(24,25)19-8-7-17(20)28-19)10-16(15)27-12-14-11-23-9-3-2-4-18(23)21-14/h2-11,22H,12H2,1H3.
What are the key properties of 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 449.94 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 52712862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).