N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide

C13H18ClNO3S — CID 42961433

IUPACN-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-3-10(2)15-13(16)9-19(17,18)8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyVEFGOHZJMHXTGC-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.17
Rot. Bonds6

About N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide

N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide (PubChem CID 42961433) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide
PubChem CID42961433
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC NameN-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-3-10(2)15-13(16)9-19(17,18)8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyVEFGOHZJMHXTGC-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide (CID 42961433) is N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide is CCC(C)NC(=O)CS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
The InChIKey is VEFGOHZJMHXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-3-10(2)15-13(16)9-19(17,18)8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide has a molecular weight of 303.81 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 42961433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).