3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide

C11H15ClN2O3S — CID 54924414

IUPAC3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-7(13)5-11(15)14-10-6-8(18(2,16)17)3-4-9(10)12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChIKeyKKTDUCDJYCAATP-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide

3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide (PubChem CID 54924414) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
PubChem CID54924414
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-7(13)5-11(15)14-10-6-8(18(2,16)17)3-4-9(10)12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChIKeyKKTDUCDJYCAATP-UHFFFAOYSA-N
XLogP1.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
4-amino-N-(2-chloro-5-methylsulfonylphenyl)-3-methylbutanamide
CID 81076001
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
2-(aminomethyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 65225878
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2662154
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 29116891

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The IUPAC name of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide (CID 54924414) is 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide is CC(N)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The InChIKey is KKTDUCDJYCAATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7(13)5-11(15)14-10-6-8(18(2,16)17)3-4-9(10)12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide has a molecular weight of 290.77 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 54924414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).