4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide

C18H19ClN4O4S — CID 71847465

IUPAC4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)c1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc2o1
InChIInChI=1S/C18H19ClN4O4S/c1-22(2)18-21-14-10-12(6-8-15(14)27-18)20-17(24)11-5-7-13(19)16(9-11)28(25,26)23(3)4/h5-10H,1-4H3,(H,20,24)
InChIKeyRWZRHJZQANWKDA-UHFFFAOYSA-N
MW422.89 g/mol
LogP3.05
Rot. Bonds5

About 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide

4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 71847465) has the molecular formula C18H19ClN4O4S and a molecular weight of 422.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
PubChem CID71847465
Molecular FormulaC18H19ClN4O4S
Molecular Weight422.89 g/mol
Exact Mass422.08
IUPAC Name4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)c1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc2o1
InChIInChI=1S/C18H19ClN4O4S/c1-22(2)18-21-14-10-12(6-8-15(14)27-18)20-17(24)11-5-7-13(19)16(9-11)28(25,26)23(3)4/h5-10H,1-4H3,(H,20,24)
InChIKeyRWZRHJZQANWKDA-UHFFFAOYSA-N
XLogP3.05
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26663982
4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37096181
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(dimethylsulfamoyl)benzamide
CID 24659613
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide (CID 71847465) is 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide is CN(C)c1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)ccc2o1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is RWZRHJZQANWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S/c1-22(2)18-21-14-10-12(6-8-15(14)27-18)20-17(24)11-5-7-13(19)16(9-11)28(25,26)23(3)4/h5-10H,1-4H3,(H,20,24).
What are the key properties of 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 422.89 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 71847465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).