5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide

C16H17ClN2O3S — CID 60606334

IUPAC5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
SMILESCCc1cccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C16H17ClN2O3S/c1-3-11-5-4-6-13(9-11)18-16(20)14-10-12(17)7-8-15(14)19-23(2,21)22/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyKSPOZIBJIYRWHI-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide

5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide (PubChem CID 60606334) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
PubChem CID60606334
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
SMILESCCc1cccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C16H17ClN2O3S/c1-3-11-5-4-6-13(9-11)18-16(20)14-10-12(17)7-8-15(14)19-23(2,21)22/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyKSPOZIBJIYRWHI-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
5-chloro-N-(3-cyclopentyloxyphenyl)-2-(methanesulfonamido)benzamide
CID 47087643
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide (CID 60606334) is 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide is CCc1cccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1.
What is the InChIKey of 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide?
The InChIKey is KSPOZIBJIYRWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-3-11-5-4-6-13(9-11)18-16(20)14-10-12(17)7-8-15(14)19-23(2,21)22/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide?
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide has a molecular weight of 352.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 60606334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).