2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide

C10H13ClN2O3S — CID 103288038

IUPAC2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
SMILESNC(=O)C(N)CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-8-4-2-1-3-7(8)5-17(15,16)6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyFUOSZCMQMQCXDI-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.07
Rot. Bonds5

About 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide

2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide (PubChem CID 103288038) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
PubChem CID103288038
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
SMILESNC(=O)C(N)CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-8-4-2-1-3-7(8)5-17(15,16)6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyFUOSZCMQMQCXDI-UHFFFAOYSA-N
XLogP0.07
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
The IUPAC name of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide (CID 103288038) is 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide is NC(=O)C(N)CS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
The InChIKey is FUOSZCMQMQCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-8-4-2-1-3-7(8)5-17(15,16)6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14).
What are the key properties of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide has a molecular weight of 276.74 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 103288038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).