2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide

C18H16ClN3O3S — CID 50740349

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C18H16ClN3O3S/c1-12(22-26(24,25)16-7-4-14(19)5-8-16)18(23)21-15-6-9-17-13(11-15)3-2-10-20-17/h2-12,22H,1H3,(H,21,23)
InChIKeyAOPPGFYJTRTMOA-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.19
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide

2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide (PubChem CID 50740349) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide
PubChem CID50740349
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C18H16ClN3O3S/c1-12(22-26(24,25)16-7-4-14(19)5-8-16)18(23)21-15-6-9-17-13(11-15)3-2-10-20-17/h2-12,22H,1H3,(H,21,23)
InChIKeyAOPPGFYJTRTMOA-UHFFFAOYSA-N
XLogP3.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 55350091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide (CID 50740349) is 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide?
The InChIKey is AOPPGFYJTRTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-12(22-26(24,25)16-7-4-14(19)5-8-16)18(23)21-15-6-9-17-13(11-15)3-2-10-20-17/h2-12,22H,1H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide has a molecular weight of 389.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide is sourced from PubChem (CID 50740349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).