N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide

C20H25FN2O4S — CID 118642025

IUPACN-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)CC(C)O)c2)ccc1F
InChIInChI=1S/C20H25FN2O4S/c1-13-10-16(8-9-18(13)21)22-19(25)15-6-5-7-17(11-15)28(26,27)23-20(3,4)12-14(2)24/h5-11,14,23-24H,12H2,1-4H3,(H,22,25)
InChIKeyCOYVJLKZSISCTN-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.21
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide

N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide (PubChem CID 118642025) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
PubChem CID118642025
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)CC(C)O)c2)ccc1F
InChIInChI=1S/C20H25FN2O4S/c1-13-10-16(8-9-18(13)21)22-19(25)15-6-5-7-17(11-15)28(26,27)23-20(3,4)12-14(2)24/h5-11,14,23-24H,12H2,1-4H3,(H,22,25)
InChIKeyCOYVJLKZSISCTN-UHFFFAOYSA-N
XLogP3.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
tert-butyl N-[(2S)-3-[3-[(4-fluoro-3-methylphenyl)carbamoyl]phenyl]sulfonyl-2-methylpropyl]carbamate
CID 160774913
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
CID 149027225
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide (CID 118642025) is N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)CC(C)O)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide?
The InChIKey is COYVJLKZSISCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-13-10-16(8-9-18(13)21)22-19(25)15-6-5-7-17(11-15)28(26,27)23-20(3,4)12-14(2)24/h5-11,14,23-24H,12H2,1-4H3,(H,22,25).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide?
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 118642025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).