2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C26H24N2O4S2 — CID 57430216

IUPAC2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C26H24N2O4S2/c1-20-10-13-25(19-26(20)34(31,32)28-18-16-23-9-5-6-17-27-23)33(29,30)24-14-11-22(12-15-24)21-7-3-2-4-8-21/h2-15,17,19,28H,16,18H2,1H3
InChIKeyBITVBSFDNYTZNF-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.41
Rot. Bonds8

About 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 57430216) has the molecular formula C26H24N2O4S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID57430216
Molecular FormulaC26H24N2O4S2
Molecular Weight492.62 g/mol
Exact Mass492.12
IUPAC Name2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C26H24N2O4S2/c1-20-10-13-25(19-26(20)34(31,32)28-18-16-23-9-5-6-17-27-23)33(29,30)24-14-11-22(12-15-24)21-7-3-2-4-8-21/h2-15,17,19,28H,16,18H2,1H3
InChIKeyBITVBSFDNYTZNF-UHFFFAOYSA-N
XLogP4.41
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430257
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430233
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 57430216) is 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is BITVBSFDNYTZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S2/c1-20-10-13-25(19-26(20)34(31,32)28-18-16-23-9-5-6-17-27-23)33(29,30)24-14-11-22(12-15-24)21-7-3-2-4-8-21/h2-15,17,19,28H,16,18H2,1H3.
What are the key properties of 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 492.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 57430216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).