5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C23H26ClN3O4S2 — CID 57430257

IUPAC5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)c2ccc(C(C)C)c(S(=O)(=O)NCCc3ccccn3)c2)cc1Cl
InChIInChI=1S/C23H26ClN3O4S2/c1-16(2)20-9-7-19(32(28,29)18-8-10-22(25-3)21(24)14-18)15-23(20)33(30,31)27-13-11-17-6-4-5-12-26-17/h4-10,12,14-16,25,27H,11,13H2,1-3H3
InChIKeyZIENRXKDKSJPDT-UHFFFAOYSA-N
MW508.07 g/mol
LogP4.25
Rot. Bonds9

About 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 57430257) has the molecular formula C23H26ClN3O4S2 and a molecular weight of 508.07 g/mol. Its IUPAC name is 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID57430257
Molecular FormulaC23H26ClN3O4S2
Molecular Weight508.07 g/mol
Exact Mass507.11
IUPAC Name5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)c2ccc(C(C)C)c(S(=O)(=O)NCCc3ccccn3)c2)cc1Cl
InChIInChI=1S/C23H26ClN3O4S2/c1-16(2)20-9-7-19(32(28,29)18-8-10-22(25-3)21(24)14-18)15-23(20)33(30,31)27-13-11-17-6-4-5-12-26-17/h4-10,12,14-16,25,27H,11,13H2,1-3H3
InChIKeyZIENRXKDKSJPDT-UHFFFAOYSA-N
XLogP4.25
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.07
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloro-2-methoxyphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430233
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
4-propan-2-yl-3-(2-pyridin-2-ylethylsulfamoyl)benzenesulfinic acid
CID 57497797
2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430216
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 64607542
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
4-chloro-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 4878966
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-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 57430257) is 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CNc1ccc(S(=O)(=O)c2ccc(C(C)C)c(S(=O)(=O)NCCc3ccccn3)c2)cc1Cl.
What is the InChIKey of 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is ZIENRXKDKSJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S2/c1-16(2)20-9-7-19(32(28,29)18-8-10-22(25-3)21(24)14-18)15-23(20)33(30,31)27-13-11-17-6-4-5-12-26-17/h4-10,12,14-16,25,27H,11,13H2,1-3H3.
What are the key properties of 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 508.07 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(methylamino)phenyl]sulfonyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 57430257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).