(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide

C13H17ClN2O4S — CID 128975202

IUPAC(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cc(Cl)ccc2C)C1
InChIInChI=1S/C13H17ClN2O4S/c1-8-3-4-9(14)5-12(8)21(18,19)16-7-10(20-2)6-11(16)13(15)17/h3-5,10-11H,6-7H2,1-2H3,(H2,15,17)/t10-,11-/m0/s1
InChIKeyBGMIPBPXDCOMAD-QWRGUYRKSA-N
MW332.81 g/mol
LogP0.91
Rot. Bonds4

About (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128975202) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide
PubChem CID128975202
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cc(Cl)ccc2C)C1
InChIInChI=1S/C13H17ClN2O4S/c1-8-3-4-9(14)5-12(8)21(18,19)16-7-10(20-2)6-11(16)13(15)17/h3-5,10-11H,6-7H2,1-2H3,(H2,15,17)/t10-,11-/m0/s1
InChIKeyBGMIPBPXDCOMAD-QWRGUYRKSA-N
XLogP0.91
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718976
methyl (2R)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836483
1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 114379175
3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
1-(5-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312528
(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide
CID 167773559
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-[2-(6-chloroindol-1-yl)acetyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983869
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 166209572

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide (CID 128975202) is (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cc(Cl)ccc2C)C1.
What is the InChIKey of (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is BGMIPBPXDCOMAD-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-8-3-4-9(14)5-12(8)21(18,19)16-7-10(20-2)6-11(16)13(15)17/h3-5,10-11H,6-7H2,1-2H3,(H2,15,17)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128975202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).