N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide

C13H16ClN3O2S — CID 6468093

IUPACN-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C13H16ClN3O2S/c1-4-17-10(3)13(8-15-17)20(18,19)16-12-7-11(14)6-5-9(12)2/h5-8,16H,4H2,1-3H3
InChIKeyLTJNBFRLWIQSBZ-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.97
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide

N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 6468093) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID6468093
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C13H16ClN3O2S/c1-4-17-10(3)13(8-15-17)20(18,19)16-12-7-11(14)6-5-9(12)2/h5-8,16H,4H2,1-3H3
InChIKeyLTJNBFRLWIQSBZ-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 6468093) is N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is LTJNBFRLWIQSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-4-17-10(3)13(8-15-17)20(18,19)16-12-7-11(14)6-5-9(12)2/h5-8,16H,4H2,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 6468093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).