4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide

C19H19Cl2N3O2S — CID 25134743

IUPAC4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(Cl)cn2)cc1
InChIInChI=1S/C19H19Cl2N3O2S/c1-19(2,3)13-4-7-16(8-5-13)27(25,26)23-17-9-6-14(20)10-18(17)24-12-15(21)11-22-24/h4-12,23H,1-3H3
InChIKeyYNKDVDOAKBTAMW-UHFFFAOYSA-N
MW424.35 g/mol
LogP5.28
Rot. Bonds4

About 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide

4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 25134743) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID25134743
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC Name4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(Cl)cn2)cc1
InChIInChI=1S/C19H19Cl2N3O2S/c1-19(2,3)13-4-7-16(8-5-13)27(25,26)23-17-9-6-14(20)10-18(17)24-12-15(21)11-22-24/h4-12,23H,1-3H3
InChIKeyYNKDVDOAKBTAMW-UHFFFAOYSA-N
XLogP5.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide (CID 25134743) is 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(Cl)cn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is YNKDVDOAKBTAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c1-19(2,3)13-4-7-16(8-5-13)27(25,26)23-17-9-6-14(20)10-18(17)24-12-15(21)11-22-24/h4-12,23H,1-3H3.
What are the key properties of 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 424.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25134743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).