4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C19H20ClN3O4S — CID 26663982

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-4-23(5-2)28(25,26)18-10-13(6-8-15(18)20)19(24)22-14-7-9-17-16(11-14)21-12(3)27-17/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyAXXJNYBTCWYJMA-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.07
Rot. Bonds6

About 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 26663982) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID26663982
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-4-23(5-2)28(25,26)18-10-13(6-8-15(18)20)19(24)22-14-7-9-17-16(11-14)21-12(3)27-17/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyAXXJNYBTCWYJMA-UHFFFAOYSA-N
XLogP4.07
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
CID 71847465
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 75469584
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
4-chloro-3-(diethylsulfamoyl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 27298805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 26663982) is 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is AXXJNYBTCWYJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-4-23(5-2)28(25,26)18-10-13(6-8-15(18)20)19(24)22-14-7-9-17-16(11-14)21-12(3)27-17/h6-11H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 421.91 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 26663982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).