2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C24H30Cl2N4O2S — CID 58561351

IUPAC2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCN(CC)Cc1cccc(-c2cc(Cl)c(S(=O)(=O)N(C)c3c(C)nn(C)c3C)c(Cl)c2)c1
InChIInChI=1S/C24H30Cl2N4O2S/c1-7-30(8-2)15-18-10-9-11-19(12-18)20-13-21(25)24(22(26)14-20)33(31,32)29(6)23-16(3)27-28(5)17(23)4/h9-14H,7-8,15H2,1-6H3
InChIKeyUNOPBMXWYOSHGR-UHFFFAOYSA-N
MW509.50 g/mol
LogP5.68
Rot. Bonds8

About 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561351) has the molecular formula C24H30Cl2N4O2S and a molecular weight of 509.50 g/mol. Its IUPAC name is 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561351
Molecular FormulaC24H30Cl2N4O2S
Molecular Weight509.50 g/mol
Exact Mass508.15
IUPAC Name2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCN(CC)Cc1cccc(-c2cc(Cl)c(S(=O)(=O)N(C)c3c(C)nn(C)c3C)c(Cl)c2)c1
InChIInChI=1S/C24H30Cl2N4O2S/c1-7-30(8-2)15-18-10-9-11-19(12-18)20-13-21(25)24(22(26)14-20)33(31,32)29(6)23-16(3)27-28(5)17(23)4/h9-14H,7-8,15H2,1-6H3
InChIKeyUNOPBMXWYOSHGR-UHFFFAOYSA-N
XLogP5.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561351) is 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is CCN(CC)Cc1cccc(-c2cc(Cl)c(S(=O)(=O)N(C)c3c(C)nn(C)c3C)c(Cl)c2)c1.
What is the InChIKey of 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is UNOPBMXWYOSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O2S/c1-7-30(8-2)15-18-10-9-11-19(12-18)20-13-21(25)24(22(26)14-20)33(31,32)29(6)23-16(3)27-28(5)17(23)4/h9-14H,7-8,15H2,1-6H3.
What are the key properties of 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 509.50 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[3-(diethylaminomethyl)phenyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).