N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide

C18H17F2NO4S — CID 158181785

IUPACN-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)CC2CCOC2)c1
InChIInChI=1S/C18H17F2NO4S/c19-16-5-4-14(9-17(16)20)21-18(22)13-2-1-3-15(8-13)26(23,24)11-12-6-7-25-10-12/h1-5,8-9,12H,6-7,10-11H2,(H,21,22)
InChIKeyAPHXKNDNHAOIIZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.03
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide

N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide (PubChem CID 158181785) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide
PubChem CID158181785
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC NameN-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)CC2CCOC2)c1
InChIInChI=1S/C18H17F2NO4S/c19-16-5-4-14(9-17(16)20)21-18(22)13-2-1-3-15(8-13)26(23,24)11-12-6-7-25-10-12/h1-5,8-9,12H,6-7,10-11H2,(H,21,22)
InChIKeyAPHXKNDNHAOIIZ-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
CID 159659770
3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 152976203
N-(3,4-difluorophenyl)-5-[[(3S)-oxolan-3-yl]methylsulfonyl]-1H-indazol-3-amine
CID 157240733
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-(3-bromo-4-fluorophenyl)-3-[(3-methyloxetan-3-yl)methylsulfonyl]benzamide
CID 158482888
2-methoxy-5-[[(3S)-oxolan-3-yl]methylsulfonyl]-N-(2,4,5-trifluorophenyl)benzamide
CID 161284309
N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide
CID 167939993
2-methoxy-N-(4-methylphenyl)-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide;sulfane
CID 158668141
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
N-(3-cyanophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide;sulfane
CID 159506018
N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide
CID 149288991
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide (CID 158181785) is N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)CC2CCOC2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide?
The InChIKey is APHXKNDNHAOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c19-16-5-4-14(9-17(16)20)21-18(22)13-2-1-3-15(8-13)26(23,24)11-12-6-7-25-10-12/h1-5,8-9,12H,6-7,10-11H2,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide?
N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide has a molecular weight of 381.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(oxolan-3-ylmethylsulfonyl)benzamide is sourced from PubChem (CID 158181785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).