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

C11H14ClNO3S — CID 60629893

IUPACN-(2-chloro-5-methylsulfonylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-3-4-11(14)13-10-7-8(17(2,15)16)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXVOUKLPCUCKNM-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.48
Rot. Bonds4

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

N-(2-chloro-5-methylsulfonylphenyl)butanamide (PubChem CID 60629893) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)butanamide
PubChem CID60629893
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-3-4-11(14)13-10-7-8(17(2,15)16)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXVOUKLPCUCKNM-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284
4-amino-N-(2-chloro-5-methylsulfonylphenyl)-3-methylbutanamide
CID 81076001
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
2-(aminomethyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 65225878
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)butanamide (CID 60629893) is N-(2-chloro-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)butanamide is CCCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The InChIKey is QXVOUKLPCUCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-3-4-11(14)13-10-7-8(17(2,15)16)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)butanamide?
N-(2-chloro-5-methylsulfonylphenyl)butanamide has a molecular weight of 275.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 60629893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).