N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H17ClF2N2O5S — CID 146237242

IUPACN-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C18H17ClF2N2O5S/c1-27-16-3-2-12(29(25,26)23-11-4-5-28-9-11)8-13(16)18(24)22-17-14(19)6-10(20)7-15(17)21/h2-3,6-8,11,23H,4-5,9H2,1H3,(H,22,24)/t11-/m0/s1
InChIKeyRLQDUUYYTXWELB-NSHDSACASA-N
MW446.86 g/mol
LogP2.95
Rot. Bonds6

About N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 146237242) has the molecular formula C18H17ClF2N2O5S and a molecular weight of 446.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID146237242
Molecular FormulaC18H17ClF2N2O5S
Molecular Weight446.86 g/mol
Exact Mass446.05
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C18H17ClF2N2O5S/c1-27-16-3-2-12(29(25,26)23-11-4-5-28-9-11)8-13(16)18(24)22-17-14(19)6-10(20)7-15(17)21/h2-3,6-8,11,23H,4-5,9H2,1H3,(H,22,24)/t11-/m0/s1
InChIKeyRLQDUUYYTXWELB-NSHDSACASA-N
XLogP2.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559576
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237320
N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
CID 146237340

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 146237242) is N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is RLQDUUYYTXWELB-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClF2N2O5S/c1-27-16-3-2-12(29(25,26)23-11-4-5-28-9-11)8-13(16)18(24)22-17-14(19)6-10(20)7-15(17)21/h2-3,6-8,11,23H,4-5,9H2,1H3,(H,22,24)/t11-/m0/s1.
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 446.86 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 146237242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).