4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C18H18ClFN2O4S — CID 8017104

IUPAC4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H18ClFN2O4S/c19-16-7-6-12(18(23)22-14-4-1-3-13(20)10-14)9-17(16)27(24,25)21-11-15-5-2-8-26-15/h1,3-4,6-7,9-10,15,21H,2,5,8,11H2,(H,22,23)/t15-/m0/s1
InChIKeySEYKVMBKEMGCFJ-HNNXBMFYSA-N
MW412.87 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 8017104) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID8017104
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H18ClFN2O4S/c19-16-7-6-12(18(23)22-14-4-1-3-13(20)10-14)9-17(16)27(24,25)21-11-15-5-2-8-26-15/h1,3-4,6-7,9-10,15,21H,2,5,8,11H2,(H,22,23)/t15-/m0/s1
InChIKeySEYKVMBKEMGCFJ-HNNXBMFYSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41096601
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40917313
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55546561
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 8017104) is 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is O=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is SEYKVMBKEMGCFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c19-16-7-6-12(18(23)22-14-4-1-3-13(20)10-14)9-17(16)27(24,25)21-11-15-5-2-8-26-15/h1,3-4,6-7,9-10,15,21H,2,5,8,11H2,(H,22,23)/t15-/m0/s1.
What are the key properties of 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 412.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 8017104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).