2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide

C12H15ClN2O3S — CID 19837764

IUPAC2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide
SMILESNC(=O)CN(C1CC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c13-10-3-1-2-9(6-10)8-19(17,18)15(7-12(14)16)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H2,14,16)
InChIKeyPJXHDFLKSVIWMR-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.12
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide

2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide (PubChem CID 19837764) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide
PubChem CID19837764
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide
SMILESNC(=O)CN(C1CC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c13-10-3-1-2-9(6-10)8-19(17,18)15(7-12(14)16)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H2,14,16)
InChIKeyPJXHDFLKSVIWMR-UHFFFAOYSA-N
XLogP1.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118088
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128
2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60801411
2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
2-[cyclohexyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide
CID 15118358
N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522679
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
CID 60950870
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
CID 56514574
tert-butyl 3-[(3-chlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 71646987
1-(3-aminophenyl)-N-(2-cyanoethyl)-N-cyclopropylmethanesulfonamide
CID 61126630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide (CID 19837764) is 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide is NC(=O)CN(C1CC1)S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide?
The InChIKey is PJXHDFLKSVIWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-10-3-1-2-9(6-10)8-19(17,18)15(7-12(14)16)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H2,14,16).
What are the key properties of 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide?
2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide has a molecular weight of 302.78 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide is sourced from PubChem (CID 19837764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).