N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide

C19H23N3O4S — CID 97259848

IUPACN-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CN([C@@H](C)CO)C3)c1
InChIInChI=1S/C19H23N3O4S/c1-13(12-23)22-10-15-6-4-8-18(17(15)11-22)21-19(24)14-5-3-7-16(9-14)27(25,26)20-2/h3-9,13,20,23H,10-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyQFCPECBUQJLXRG-ZDUSSCGKSA-N
MW389.48 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide

N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide (PubChem CID 97259848) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide
PubChem CID97259848
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CN([C@@H](C)CO)C3)c1
InChIInChI=1S/C19H23N3O4S/c1-13(12-23)22-10-15-6-4-8-18(17(15)11-22)21-19(24)14-5-3-7-16(9-14)27(25,26)20-2/h3-9,13,20,23H,10-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyQFCPECBUQJLXRG-ZDUSSCGKSA-N
XLogP1.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
CID 95145433
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
CID 26583048

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide (CID 97259848) is N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CN([C@@H](C)CO)C3)c1.
What is the InChIKey of N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide?
The InChIKey is QFCPECBUQJLXRG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(12-23)22-10-15-6-4-8-18(17(15)11-22)21-19(24)14-5-3-7-16(9-14)27(25,26)20-2/h3-9,13,20,23H,10-12H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide?
N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-hydroxypropan-2-yl]-1,3-dihydroisoindol-4-yl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 97259848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).