2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C17H15Cl3N4O2S — CID 58561278

IUPAC2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl3N4O2S/c1-9-16(10(2)24(3)22-9)23-27(25,26)17-13(18)6-12(7-14(17)19)11-4-5-21-15(20)8-11/h4-8,23H,1-3H3
InChIKeyUTTLXXIMZXSJMQ-UHFFFAOYSA-N
MW445.76 g/mol
LogP4.86
Rot. Bonds4

About 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561278) has the molecular formula C17H15Cl3N4O2S and a molecular weight of 445.76 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561278
Molecular FormulaC17H15Cl3N4O2S
Molecular Weight445.76 g/mol
Exact Mass444.00
IUPAC Name2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl3N4O2S/c1-9-16(10(2)24(3)22-9)23-27(25,26)17-13(18)6-12(7-14(17)19)11-4-5-21-15(20)8-11/h4-8,23H,1-3H3
InChIKeyUTTLXXIMZXSJMQ-UHFFFAOYSA-N
XLogP4.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.76
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561278) is 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(Cl)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is UTTLXXIMZXSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N4O2S/c1-9-16(10(2)24(3)22-9)23-27(25,26)17-13(18)6-12(7-14(17)19)11-4-5-21-15(20)8-11/h4-8,23H,1-3H3.
What are the key properties of 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 445.76 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-chloro-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).