N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C12H17Cl2N5O2S — CID 44822193

IUPACN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl
InChIInChI=1S/C12H17Cl2N5O2S/c1-7-11(8(2)18(4)15-7)22(20,21)17(3)6-9-10(13)12(14)19(5)16-9/h6H2,1-5H3
InChIKeySOQWAULLXVVNQG-UHFFFAOYSA-N
MW366.27 g/mol
LogP1.90
Rot. Bonds4

About N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 44822193) has the molecular formula C12H17Cl2N5O2S and a molecular weight of 366.27 g/mol. Its IUPAC name is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID44822193
Molecular FormulaC12H17Cl2N5O2S
Molecular Weight366.27 g/mol
Exact Mass365.05
IUPAC NameN-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl
InChIInChI=1S/C12H17Cl2N5O2S/c1-7-11(8(2)18(4)15-7)22(20,21)17(3)6-9-10(13)12(14)19(5)16-9/h6H2,1-5H3
InChIKeySOQWAULLXVVNQG-UHFFFAOYSA-N
XLogP1.90
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 44822193) is N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1nn(C)c(Cl)c1Cl.
What is the InChIKey of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is SOQWAULLXVVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N5O2S/c1-7-11(8(2)18(4)15-7)22(20,21)17(3)6-9-10(13)12(14)19(5)16-9/h6H2,1-5H3.
What are the key properties of N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 366.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 44822193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).