N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C14H19ClN2O4S — CID 74226134

IUPACN-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCOC[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O4S/c1-10(18)16-14-6-5-12(8-13(14)15)22(19,20)17-7-3-4-11(17)9-21-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyKYMGWGLLVYWJNZ-NSHDSACASA-N
MW346.84 g/mol
LogP2.10
Rot. Bonds5

About N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 74226134) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID74226134
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCOC[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O4S/c1-10(18)16-14-6-5-12(8-13(14)15)22(19,20)17-7-3-4-11(17)9-21-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyKYMGWGLLVYWJNZ-NSHDSACASA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
ethyl 1-(4-acetamido-3-chlorophenyl)sulfonylpiperidine-2-carboxylate
CID 3673261
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 3695622
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
3,3-dichloro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indol-2-one
CID 70342438
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 69319727
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030
2-chloro-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215234
6-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 46966853
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 74226134) is N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is COC[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is KYMGWGLLVYWJNZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-10(18)16-14-6-5-12(8-13(14)15)22(19,20)17-7-3-4-11(17)9-21-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 74226134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).