4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide

C20H16Cl2FN3O4S2 — CID 143250267

IUPAC4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide
SMILESO=C(NCC1(c2ncccc2F)CN(S(=O)(=O)c2ccc(Cl)s2)C1)c1ccc(Cl)cc1O
InChIInChI=1S/C20H16Cl2FN3O4S2/c21-12-3-4-13(15(27)8-12)19(28)25-9-20(18-14(23)2-1-7-24-18)10-26(11-20)32(29,30)17-6-5-16(22)31-17/h1-8,27H,9-11H2,(H,25,28)
InChIKeyBMFQZTKXXMGBIP-UHFFFAOYSA-N
MW516.40 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide

4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide (PubChem CID 143250267) has the molecular formula C20H16Cl2FN3O4S2 and a molecular weight of 516.40 g/mol. Its IUPAC name is 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide
PubChem CID143250267
Molecular FormulaC20H16Cl2FN3O4S2
Molecular Weight516.40 g/mol
Exact Mass514.99
IUPAC Name4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide
SMILESO=C(NCC1(c2ncccc2F)CN(S(=O)(=O)c2ccc(Cl)s2)C1)c1ccc(Cl)cc1O
InChIInChI=1S/C20H16Cl2FN3O4S2/c21-12-3-4-13(15(27)8-12)19(28)25-9-20(18-14(23)2-1-7-24-18)10-26(11-20)32(29,30)17-6-5-16(22)31-17/h1-8,27H,9-11H2,(H,25,28)
InChIKeyBMFQZTKXXMGBIP-UHFFFAOYSA-N
XLogP3.67
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide
CID 143250251
N-[[1-ethylsulfonyl-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trifluorobenzamide
CID 59003504
2-chloro-6-fluoro-N-[[4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylbenzamide
CID 59164303
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
CID 59003515
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80544557
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[(2S)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55937183
2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzamide;2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzenecarbothioamide
CID 157428665

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide (CID 143250267) is 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide is O=C(NCC1(c2ncccc2F)CN(S(=O)(=O)c2ccc(Cl)s2)C1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide?
The InChIKey is BMFQZTKXXMGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O4S2/c21-12-3-4-13(15(27)8-12)19(28)25-9-20(18-14(23)2-1-7-24-18)10-26(11-20)32(29,30)17-6-5-16(22)31-17/h1-8,27H,9-11H2,(H,25,28).
What are the key properties of 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide?
4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide has a molecular weight of 516.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 143250267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).