N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide

C12H14ClN3O2S — CID 102692097

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCC(c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-9(10-3-5-11(13)6-4-10)16(2)19(17,18)12-7-8-14-15-12/h3-9H,1-2H3,(H,14,15)
InChIKeyPOWPMTBWWFEXBF-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102692097) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102692097
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCC(c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H14ClN3O2S/c1-9(10-3-5-11(13)6-4-10)16(2)19(17,18)12-7-8-14-15-12/h3-9H,1-2H3,(H,14,15)
InChIKeyPOWPMTBWWFEXBF-UHFFFAOYSA-N
XLogP2.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide (CID 102692097) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide is CC(c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is POWPMTBWWFEXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-9(10-3-5-11(13)6-4-10)16(2)19(17,18)12-7-8-14-15-12/h3-9H,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).