4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide

C19H20ClN3O2S — CID 25134742

IUPAC4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-19(2,3)14-5-8-16(9-6-14)26(24,25)22-17-10-7-15(20)13-18(17)23-12-4-11-21-23/h4-13,22H,1-3H3
InChIKeyDRJSFNFZEUXZRU-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.62
Rot. Bonds4

About 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 25134742) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID25134742
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-19(2,3)14-5-8-16(9-6-14)26(24,25)22-17-10-7-15(20)13-18(17)23-12-4-11-21-23/h4-13,22H,1-3H3
InChIKeyDRJSFNFZEUXZRU-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.62
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-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide (CID 25134742) is 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is DRJSFNFZEUXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-19(2,3)14-5-8-16(9-6-14)26(24,25)22-17-10-7-15(20)13-18(17)23-12-4-11-21-23/h4-13,22H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-chloro-2-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.62, 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-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 25134742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).