N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide

C23H21ClF2N2O4S2 — CID 25263477

IUPACN-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1
InChIInChI=1S/C23H21ClF2N2O4S2/c24-16-4-7-19(8-5-16)33(29,30)23(20-15-17(25)6-9-21(20)26)12-10-18(11-13-23)28-34(31,32)22-3-1-2-14-27-22/h1-9,14-15,18,28H,10-13H2
InChIKeyIHTDUZYFQXWLFI-UHFFFAOYSA-N
MW527.01 g/mol
LogP4.60
Rot. Bonds6

About N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide

N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide (PubChem CID 25263477) has the molecular formula C23H21ClF2N2O4S2 and a molecular weight of 527.01 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide
PubChem CID25263477
Molecular FormulaC23H21ClF2N2O4S2
Molecular Weight527.01 g/mol
Exact Mass526.06
IUPAC NameN-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1
InChIInChI=1S/C23H21ClF2N2O4S2/c24-16-4-7-19(8-5-16)33(29,30)23(20-15-17(25)6-9-21(20)26)12-10-18(11-13-23)28-34(31,32)22-3-1-2-14-27-22/h1-9,14-15,18,28H,10-13H2
InChIKeyIHTDUZYFQXWLFI-UHFFFAOYSA-N
XLogP4.60
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.01
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide (CID 25263477) is N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide is O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1.
What is the InChIKey of N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide?
The InChIKey is IHTDUZYFQXWLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O4S2/c24-16-4-7-19(8-5-16)33(29,30)23(20-15-17(25)6-9-21(20)26)12-10-18(11-13-23)28-34(31,32)22-3-1-2-14-27-22/h1-9,14-15,18,28H,10-13H2.
What are the key properties of N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide?
N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide has a molecular weight of 527.01 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide is sourced from PubChem (CID 25263477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).