4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide

C8H7ClF3NO3S — CID 18509307

IUPAC4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO3S/c1-16-13-17(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyYARRMYWBBIWQCK-UHFFFAOYSA-N
MW289.66 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 18509307) has the molecular formula C8H7ClF3NO3S and a molecular weight of 289.66 g/mol. Its IUPAC name is 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide
PubChem CID18509307
Molecular FormulaC8H7ClF3NO3S
Molecular Weight289.66 g/mol
Exact Mass288.98
IUPAC Name4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO3S/c1-16-13-17(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyYARRMYWBBIWQCK-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide (CID 18509307) is 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide is CONS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YARRMYWBBIWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO3S/c1-16-13-17(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3.
What are the key properties of 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 289.66 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18509307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).