N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C18H13Cl2FN2O2S — CID 141280137

IUPACN-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2FN2O2S/c19-14-10-17(20)18(22-11-14)23(12-13-6-8-15(21)9-7-13)26(24,25)16-4-2-1-3-5-16/h1-11H,12H2
InChIKeyDJUYSGLYAAYGBI-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.92
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide

N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 141280137) has the molecular formula C18H13Cl2FN2O2S and a molecular weight of 411.29 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID141280137
Molecular FormulaC18H13Cl2FN2O2S
Molecular Weight411.29 g/mol
Exact Mass410.01
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2FN2O2S/c19-14-10-17(20)18(22-11-14)23(12-13-6-8-15(21)9-7-13)26(24,25)16-4-2-1-3-5-16/h1-11H,12H2
InChIKeyDJUYSGLYAAYGBI-UHFFFAOYSA-N
XLogP4.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[benzyl-(3,5-dichloro-2-pyridinyl)sulfamoyl]benzoate
CID 66601084
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 141280156
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 141280135
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide
CID 141280144
4-[benzyl-(3-chloro-5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 118719633
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid
CID 70829040
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 70828971
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 141280137) is N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is DJUYSGLYAAYGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2S/c19-14-10-17(20)18(22-11-14)23(12-13-6-8-15(21)9-7-13)26(24,25)16-4-2-1-3-5-16/h1-11H,12H2.
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 411.29 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 141280137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).