5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide

C18H16ClN3O3S2 — CID 121031215

IUPAC5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-25-16-6-5-13(19)10-17(16)27(23,24)21-14-4-2-3-12(9-14)15-11-22-7-8-26-18(22)20-15/h2-6,9-11,21H,7-8H2,1H3
InChIKeyRGSQKMQULOLKKC-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.12
Rot. Bonds5

About 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide

5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide (PubChem CID 121031215) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
PubChem CID121031215
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC Name5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-25-16-6-5-13(19)10-17(16)27(23,24)21-14-4-2-3-12(9-14)15-11-22-7-8-26-18(22)20-15/h2-6,9-11,21H,7-8H2,1H3
InChIKeyRGSQKMQULOLKKC-UHFFFAOYSA-N
XLogP4.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 121031239
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
3-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methylbenzenesulfonamide
CID 121031242
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 40506234
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 121031214
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxy-4-methylbenzenesulfonamide
CID 121149467
5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 56684237

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide (CID 121031215) is 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1.
What is the InChIKey of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide?
The InChIKey is RGSQKMQULOLKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-25-16-6-5-13(19)10-17(16)27(23,24)21-14-4-2-3-12(9-14)15-11-22-7-8-26-18(22)20-15/h2-6,9-11,21H,7-8H2,1H3.
What are the key properties of 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide has a molecular weight of 421.93 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121031215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).