N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide

C23H21FN2O4S — CID 118396967

IUPACN-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3c4ccccc4C[C@@H]3O)c2)ccc1F
InChIInChI=1S/C23H21FN2O4S/c1-14-11-17(9-10-20(14)24)25-23(28)16-6-4-7-18(12-16)31(29,30)26-22-19-8-3-2-5-15(19)13-21(22)27/h2-12,21-22,26-27H,13H2,1H3,(H,25,28)/t21-,22-/m0/s1
InChIKeyJJWLHSUNEQMQPH-VXKWHMMOSA-N
MW440.50 g/mol
LogP3.32
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide

N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide (PubChem CID 118396967) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
PubChem CID118396967
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3c4ccccc4C[C@@H]3O)c2)ccc1F
InChIInChI=1S/C23H21FN2O4S/c1-14-11-17(9-10-20(14)24)25-23(28)16-6-4-7-18(12-16)31(29,30)26-22-19-8-3-2-5-15(19)13-21(22)27/h2-12,21-22,26-27H,13H2,1H3,(H,25,28)/t21-,22-/m0/s1
InChIKeyJJWLHSUNEQMQPH-VXKWHMMOSA-N
XLogP3.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide (CID 118396967) is N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3c4ccccc4C[C@@H]3O)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide?
The InChIKey is JJWLHSUNEQMQPH-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-14-11-17(9-10-20(14)24)25-23(28)16-6-4-7-18(12-16)31(29,30)26-22-19-8-3-2-5-15(19)13-21(22)27/h2-12,21-22,26-27H,13H2,1H3,(H,25,28)/t21-,22-/m0/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide?
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 3.32, 5 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-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide is sourced from PubChem (CID 118396967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).