4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C16H14ClN3O5S — CID 37096181

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1Cl
InChIInChI=1S/C16H14ClN3O5S/c1-20(2)26(23,24)14-7-9(3-5-11(14)17)15(21)18-10-4-6-13-12(8-10)19-16(22)25-13/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyRSKNKBMZIWMQBR-UHFFFAOYSA-N
MW395.82 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 37096181) has the molecular formula C16H14ClN3O5S and a molecular weight of 395.82 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID37096181
Molecular FormulaC16H14ClN3O5S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1Cl
InChIInChI=1S/C16H14ClN3O5S/c1-20(2)26(23,24)14-7-9(3-5-11(14)17)15(21)18-10-4-6-13-12(8-10)19-16(22)25-13/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyRSKNKBMZIWMQBR-UHFFFAOYSA-N
XLogP2.28
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
CID 71847465
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38467012
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 37096181) is 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is RSKNKBMZIWMQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5S/c1-20(2)26(23,24)14-7-9(3-5-11(14)17)15(21)18-10-4-6-13-12(8-10)19-16(22)25-13/h3-8H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 395.82 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 37096181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).