4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide

C15H20ClN3O2S — CID 22771494

IUPAC4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2C)c(C)cc1Cl
InChIInChI=1S/C15H20ClN3O2S/c1-10-7-15(11(2)6-14(10)16)22(20,21)18(4)9-13-8-17-19(5)12(13)3/h6-8H,9H2,1-5H3
InChIKeyNEPBIYFNEWUXGA-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.82
Rot. Bonds4

About 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide

4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 22771494) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
PubChem CID22771494
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2C)c(C)cc1Cl
InChIInChI=1S/C15H20ClN3O2S/c1-10-7-15(11(2)6-14(10)16)22(20,21)18(4)9-13-8-17-19(5)12(13)3/h6-8H,9H2,1-5H3
InChIKeyNEPBIYFNEWUXGA-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide (CID 22771494) is 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2C)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is NEPBIYFNEWUXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-10-7-15(11(2)6-14(10)16)22(20,21)18(4)9-13-8-17-19(5)12(13)3/h6-8H,9H2,1-5H3.
What are the key properties of 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 22771494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).