N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

C17H18ClNO3S — CID 44569556

IUPACN-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-17(2,16(20)19-12-13-6-4-3-5-7-13)23(21,22)15-10-8-14(18)9-11-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyWQUUZWCPEXVKMQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 44569556) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID44569556
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-17(2,16(20)19-12-13-6-4-3-5-7-13)23(21,22)15-10-8-14(18)9-11-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyWQUUZWCPEXVKMQ-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (CID 44569556) is N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is WQUUZWCPEXVKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-17(2,16(20)19-12-13-6-4-3-5-7-13)23(21,22)15-10-8-14(18)9-11-15/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 351.86 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 44569556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).