(2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

C14H20ClNO3S — CID 96523082

IUPAC(2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-5-14(3,4)16-13(17)10(2)20(18,19)12-8-6-7-11(15)9-12/h6-10H,5H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyLJQRAOYQFWHQTL-JTQLQIEISA-N
MW317.84 g/mol
LogP2.81
Rot. Bonds5

About (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

(2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 96523082) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID96523082
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name(2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-5-14(3,4)16-13(17)10(2)20(18,19)12-8-6-7-11(15)9-12/h6-10H,5H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyLJQRAOYQFWHQTL-JTQLQIEISA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propanamide, 3-[(4-chlorophenyl)sulfonyl]-
CID 541881
3-[(3-chlorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 3528155
N-(tert-butyl)-2-(4-chlorophenylthio)acetamide
CID 722552
2-(benzenesulfonyl)-N-tert-butylacetamide
CID 851315
N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 3474445
3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 25162845
N-butyl-3-(4-chlorophenyl)sulfonylpropanamide
CID 8892100
N-tert-butyl-2-(3-chloro-4-fluorophenyl)sulfanylpropanamide
CID 45770162
3-(3-chlorophenyl)sulfonyl-N-ethylpropanamide
CID 72024994
N-tert-butyl-4,4-dichloro-3-(4-chlorophenyl)sulfanylbut-3-enamide
CID 134922260
(2S)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8859174
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8859184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (CID 96523082) is (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is LJQRAOYQFWHQTL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-5-14(3,4)16-13(17)10(2)20(18,19)12-8-6-7-11(15)9-12/h6-10H,5H2,1-4H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
(2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 317.84 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 96523082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).