N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide

C12H14ClN3O2S — CID 6465101

IUPACN-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C12H14ClN3O2S/c1-3-16-8-11(7-14-16)19(17,18)15-10-5-4-9(2)12(13)6-10/h4-8,15H,3H2,1-2H3
InChIKeyKESAEDWGNOZKHZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.67
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide

N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 6465101) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID6465101
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C12H14ClN3O2S/c1-3-16-8-11(7-14-16)19(17,18)15-10-5-4-9(2)12(13)6-10/h4-8,15H,3H2,1-2H3
InChIKeyKESAEDWGNOZKHZ-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide (CID 6465101) is N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is KESAEDWGNOZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-3-16-8-11(7-14-16)19(17,18)15-10-5-4-9(2)12(13)6-10/h4-8,15H,3H2,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide?
N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6465101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).