N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide

C21H20ClN3O3S — CID 126508254

IUPACN-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl
InChIInChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28)
InChIKeyAGQYRESFJMYAJP-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.53
Rot. Bonds7

About N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide

N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide (PubChem CID 126508254) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
PubChem CID126508254
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl
InChIInChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28)
InChIKeyAGQYRESFJMYAJP-UHFFFAOYSA-N
XLogP3.53
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.53
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-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide?
The IUPAC name of N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide (CID 126508254) is N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide.
What is the SMILES notation for N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide?
The canonical SMILES for N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide?
The InChIKey is AGQYRESFJMYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28).
What are the key properties of N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide?
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide has a molecular weight of 429.93 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide is sourced from PubChem (CID 126508254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).