Benzamide, N,N-diethyl-p-(methylsulfonyl)-

C12H17NO3S — CID 210043

IUPACN,N-diethyl-4-methylsulfonylbenzamide
SMILESCCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)C
InChIInChI=1S/C12H17NO3S/c1-4-13(5-2)12(14)10-6-8-11(9-7-10)17(3,15)16/h6-9H,4-5H2,1-3H3
InChIKeyLRBZQHQLJLKAJP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.60
Rot. Bonds4

About Benzamide, N,N-diethyl-p-(methylsulfonyl)-

Benzamide, N,N-diethyl-p-(methylsulfonyl)- (PubChem CID 210043) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N,N-diethyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameBenzamide, N,N-diethyl-p-(methylsulfonyl)-
PubChem CID210043
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN,N-diethyl-4-methylsulfonylbenzamide
SMILESCCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)C
InChIInChI=1S/C12H17NO3S/c1-4-13(5-2)12(14)10-6-8-11(9-7-10)17(3,15)16/h6-9H,4-5H2,1-3H3
InChIKeyLRBZQHQLJLKAJP-UHFFFAOYSA-N
XLogP0.60
TPSA62.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity346

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Benzamide, N,N-diethyl-p-(methylsulfonyl)-?
The IUPAC name of Benzamide, N,N-diethyl-p-(methylsulfonyl)- (CID 210043) is N,N-diethyl-4-methylsulfonylbenzamide.
What is the SMILES notation for Benzamide, N,N-diethyl-p-(methylsulfonyl)-?
The canonical SMILES for Benzamide, N,N-diethyl-p-(methylsulfonyl)- is CCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)C.
What is the InChIKey of Benzamide, N,N-diethyl-p-(methylsulfonyl)-?
The InChIKey is LRBZQHQLJLKAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-13(5-2)12(14)10-6-8-11(9-7-10)17(3,15)16/h6-9H,4-5H2,1-3H3.
What are the key properties of Benzamide, N,N-diethyl-p-(methylsulfonyl)-?
Benzamide, N,N-diethyl-p-(methylsulfonyl)- has a molecular weight of 255.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Benzamide, N,N-diethyl-p-(methylsulfonyl)- is sourced from PubChem (CID 210043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).