5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C23H25ClN2O5S2 — CID 57430233

IUPAC5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)c1ccc(C(C)C)c(S(=O)(=O)NCCc2ccccn2)c1
InChIInChI=1S/C23H25ClN2O5S2/c1-16(2)20-9-8-19(32(27,28)23-14-17(24)7-10-21(23)31-3)15-22(20)33(29,30)26-13-11-18-6-4-5-12-25-18/h4-10,12,14-16,26H,11,13H2,1-3H3
InChIKeyUXVQAFRJIDIMRO-UHFFFAOYSA-N
MW509.05 g/mol
LogP4.22
Rot. Bonds9

About 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 57430233) has the molecular formula C23H25ClN2O5S2 and a molecular weight of 509.05 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID57430233
Molecular FormulaC23H25ClN2O5S2
Molecular Weight509.05 g/mol
Exact Mass508.09
IUPAC Name5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)c1ccc(C(C)C)c(S(=O)(=O)NCCc2ccccn2)c1
InChIInChI=1S/C23H25ClN2O5S2/c1-16(2)20-9-8-19(32(27,28)23-14-17(24)7-10-21(23)31-3)15-22(20)33(29,30)26-13-11-18-6-4-5-12-25-18/h4-10,12,14-16,26H,11,13H2,1-3H3
InChIKeyUXVQAFRJIDIMRO-UHFFFAOYSA-N
XLogP4.22
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.05
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430257
5-[(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)sulfonyl]-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430239
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
4-propan-2-yl-3-(2-pyridin-2-ylethylsulfamoyl)benzenesulfinic acid
CID 57497797
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430216
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 57430233) is 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)c1ccc(C(C)C)c(S(=O)(=O)NCCc2ccccn2)c1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is UXVQAFRJIDIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5S2/c1-16(2)20-9-8-19(32(27,28)23-14-17(24)7-10-21(23)31-3)15-22(20)33(29,30)26-13-11-18-6-4-5-12-25-18/h4-10,12,14-16,26H,11,13H2,1-3H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 509.05 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 57430233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).