N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide

C14H12ClNO4S — CID 139085848

IUPACN-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H12ClNO4S/c1-20-11-6-4-5-10(9-11)14(17)16-21(18,19)13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyGLYSLZNYLKLAAH-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.47
Rot. Bonds4

About N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide

N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide (PubChem CID 139085848) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
PubChem CID139085848
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC NameN-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H12ClNO4S/c1-20-11-6-4-5-10(9-11)14(17)16-21(18,19)13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyGLYSLZNYLKLAAH-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-(5-bromo-4-fluoro-2-nitrophenyl)sulfonyl-3-methoxybenzamide
CID 100724051
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide
CID 86868851
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide (CID 139085848) is N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide is COc1cccc(C(=O)NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide?
The InChIKey is GLYSLZNYLKLAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-20-11-6-4-5-10(9-11)14(17)16-21(18,19)13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17).
What are the key properties of N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide?
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide has a molecular weight of 325.77 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide is sourced from PubChem (CID 139085848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).