N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide

C10H13ClFNO2S — CID 43344386

IUPACN-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCCCCl
InChIInChI=1S/C10H13ClFNO2S/c1-8-3-4-9(12)7-10(8)16(14,15)13-6-2-5-11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyQBXPKWIBWNVEST-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.04
Rot. Bonds5

About N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide

N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 43344386) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID43344386
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC NameN-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCCCCl
InChIInChI=1S/C10H13ClFNO2S/c1-8-3-4-9(12)7-10(8)16(14,15)13-6-2-5-11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyQBXPKWIBWNVEST-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide (CID 43344386) is N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QBXPKWIBWNVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-8-3-4-9(12)7-10(8)16(14,15)13-6-2-5-11/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43344386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).