4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C19H21FN2O4S — CID 4658013

IUPAC4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-13-11-17(8-9-18(13)20)27(24,25)22-15-6-4-14(5-7-15)19(23)21-12-16-3-2-10-26-16/h4-9,11,16,22H,2-3,10,12H2,1H3,(H,21,23)
InChIKeySFXHJKAHYADPKP-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.84
Rot. Bonds6

About 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4658013) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4658013
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-13-11-17(8-9-18(13)20)27(24,25)22-15-6-4-14(5-7-15)19(23)21-12-16-3-2-10-26-16/h4-9,11,16,22H,2-3,10,12H2,1H3,(H,21,23)
InChIKeySFXHJKAHYADPKP-UHFFFAOYSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 4658013) is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SFXHJKAHYADPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13-11-17(8-9-18(13)20)27(24,25)22-15-6-4-14(5-7-15)19(23)21-12-16-3-2-10-26-16/h4-9,11,16,22H,2-3,10,12H2,1H3,(H,21,23).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4658013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).