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

C10H13ClFNO2S — CID 63397262

IUPACN-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCC(Cl)CN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H13ClFNO2S/c1-8(11)7-13(2)16(14,15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeyGPZIEOKWUUGKMS-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.07
Rot. Bonds4

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

N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 63397262) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID63397262
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC NameN-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCC(Cl)CN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H13ClFNO2S/c1-8(11)7-13(2)16(14,15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeyGPZIEOKWUUGKMS-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide (CID 63397262) is N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide is CC(Cl)CN(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GPZIEOKWUUGKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-8(11)7-13(2)16(14,15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide?
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 63397262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).