N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide

C11H20ClN3O2S — CID 63397297

IUPACN-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20ClN3O2S/c1-5-7-15(8-6-12)18(16,17)11-9(2)13-14(4)10(11)3/h5-8H2,1-4H3
InChIKeySAKNCHKHODASCU-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.68
Rot. Bonds6

About N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide

N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide (PubChem CID 63397297) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide
PubChem CID63397297
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC NameN-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20ClN3O2S/c1-5-7-15(8-6-12)18(16,17)11-9(2)13-14(4)10(11)3/h5-8H2,1-4H3
InChIKeySAKNCHKHODASCU-UHFFFAOYSA-N
XLogP1.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide (CID 63397297) is N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide is CCCN(CCCl)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide?
The InChIKey is SAKNCHKHODASCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2S/c1-5-7-15(8-6-12)18(16,17)11-9(2)13-14(4)10(11)3/h5-8H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide?
N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide has a molecular weight of 293.82 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1,3,5-trimethyl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 63397297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).