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

C19H19Cl2N3O2S — CID 174603446

IUPACN-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCCCCN(c1ccc(Cl)cc1-n1cc(Cl)cn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O2S/c1-2-3-11-24(27(25,26)17-7-5-4-6-8-17)18-10-9-15(20)12-19(18)23-14-16(21)13-22-23/h4-10,12-14H,2-3,11H2,1H3
InChIKeyGLWLQYLOVFZVAV-UHFFFAOYSA-N
MW424.35 g/mol
LogP5.17
Rot. Bonds7

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

N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 174603446) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID174603446
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC NameN-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCCCCN(c1ccc(Cl)cc1-n1cc(Cl)cn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O2S/c1-2-3-11-24(27(25,26)17-7-5-4-6-8-17)18-10-9-15(20)12-19(18)23-14-16(21)13-22-23/h4-10,12-14H,2-3,11H2,1H3
InChIKeyGLWLQYLOVFZVAV-UHFFFAOYSA-N
XLogP5.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide (CID 174603446) is N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide is CCCCN(c1ccc(Cl)cc1-n1cc(Cl)cn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is GLWLQYLOVFZVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c1-2-3-11-24(27(25,26)17-7-5-4-6-8-17)18-10-9-15(20)12-19(18)23-14-16(21)13-22-23/h4-10,12-14H,2-3,11H2,1H3.
What are the key properties of N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide?
N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 424.35 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 174603446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).