N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C19H13Cl2F3N2O2S — CID 2800740

IUPACN-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13Cl2F3N2O2S/c20-15-8-6-13(7-9-15)12-26(29(27,28)16-4-2-1-3-5-16)18-17(21)10-14(11-25-18)19(22,23)24/h1-11H,12H2
InChIKeyLWUVWBGPRPHYRX-UHFFFAOYSA-N
MW461.29 g/mol
LogP5.80
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 2800740) has the molecular formula C19H13Cl2F3N2O2S and a molecular weight of 461.29 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID2800740
Molecular FormulaC19H13Cl2F3N2O2S
Molecular Weight461.29 g/mol
Exact Mass460.00
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13Cl2F3N2O2S/c20-15-8-6-13(7-9-15)12-26(29(27,28)16-4-2-1-3-5-16)18-17(21)10-14(11-25-18)19(22,23)24/h1-11H,12H2
InChIKeyLWUVWBGPRPHYRX-UHFFFAOYSA-N
XLogP5.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.29
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 2800740) is N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is LWUVWBGPRPHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O2S/c20-15-8-6-13(7-9-15)12-26(29(27,28)16-4-2-1-3-5-16)18-17(21)10-14(11-25-18)19(22,23)24/h1-11H,12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 461.29 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 2800740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).