N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C17H17ClFNO3S — CID 4148310

IUPACN-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO3S/c18-15-7-3-1-5-13(15)11-20-17(21)9-10-24(22,23)12-14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)
InChIKeyKOIXCOTZHMWVPN-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.10
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 4148310) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID4148310
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO3S/c18-15-7-3-1-5-13(15)11-20-17(21)9-10-24(22,23)12-14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)
InChIKeyKOIXCOTZHMWVPN-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 4148310) is N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is KOIXCOTZHMWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c18-15-7-3-1-5-13(15)11-20-17(21)9-10-24(22,23)12-14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4148310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).