N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide

C16H16ClNO4S — CID 2540194

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-10-8-14(15(22-2)9-13(10)17)18-16(19)11-4-6-12(7-5-11)23(3,20)21/h4-9H,1-3H3,(H,18,19)
InChIKeyDDVYUCNQTSRCBG-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.31
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide (PubChem CID 2540194) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
PubChem CID2540194
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-10-8-14(15(22-2)9-13(10)17)18-16(19)11-4-6-12(7-5-11)23(3,20)21/h4-9H,1-3H3,(H,18,19)
InChIKeyDDVYUCNQTSRCBG-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide (CID 2540194) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is DDVYUCNQTSRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-10-8-14(15(22-2)9-13(10)17)18-16(19)11-4-6-12(7-5-11)23(3,20)21/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 353.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 2540194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).