N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide

C14H11ClF3NO3S — CID 1308803

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-22-10-3-2-4-11(8-10)23(20,21)19-9-5-6-13(15)12(7-9)14(16,17)18/h2-8,19H,1H3
InChIKeyVMISTZONTJOIEL-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.17
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide (PubChem CID 1308803) has the molecular formula C14H11ClF3NO3S and a molecular weight of 365.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide
PubChem CID1308803
Molecular FormulaC14H11ClF3NO3S
Molecular Weight365.76 g/mol
Exact Mass365.01
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-22-10-3-2-4-11(8-10)23(20,21)19-9-5-6-13(15)12(7-9)14(16,17)18/h2-8,19H,1H3
InChIKeyVMISTZONTJOIEL-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide (CID 1308803) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide?
The InChIKey is VMISTZONTJOIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO3S/c1-22-10-3-2-4-11(8-10)23(20,21)19-9-5-6-13(15)12(7-9)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide has a molecular weight of 365.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 1308803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).