4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide

C16H16ClN3O3S — CID 3033626

IUPAC4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide
SMILESCC1c2ccccc2CN1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyBHUKYXOYJMLRAK-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.21
Rot. Bonds3

About 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide

4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide (PubChem CID 3033626) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide
PubChem CID3033626
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide
SMILESCC1c2ccccc2CN1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyBHUKYXOYJMLRAK-UHFFFAOYSA-N
XLogP2.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide (CID 3033626) is 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide is CC1c2ccccc2CN1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide?
The InChIKey is BHUKYXOYJMLRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide?
4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide has a molecular weight of 365.84 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methyl-1,3-dihydroisoindol-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 3033626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).