2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide

C19H17ClN2O3S — CID 44569506

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23)
InChIKeyMNRVLDJGPHVQDJ-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide (PubChem CID 44569506) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide
PubChem CID44569506
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23)
InChIKeyMNRVLDJGPHVQDJ-UHFFFAOYSA-N
XLogP4.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide (CID 44569506) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide is CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
The InChIKey is MNRVLDJGPHVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide has a molecular weight of 388.88 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 44569506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).