N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide

C22H24ClN3O3S — CID 3832664

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide
SMILESCCN(C(=O)CC(c1ccccc1)c1ccccc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-4-26(30(28,29)21-16(2)24-25(3)22(21)23)20(27)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,4,15H2,1-3H3
InChIKeyABAHBWNJPNRTQD-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.14
Rot. Bonds7

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide (PubChem CID 3832664) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide
PubChem CID3832664
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide
SMILESCCN(C(=O)CC(c1ccccc1)c1ccccc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-4-26(30(28,29)21-16(2)24-25(3)22(21)23)20(27)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,4,15H2,1-3H3
InChIKeyABAHBWNJPNRTQD-UHFFFAOYSA-N
XLogP4.14
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide (CID 3832664) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide is CCN(C(=O)CC(c1ccccc1)c1ccccc1)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide?
The InChIKey is ABAHBWNJPNRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-4-26(30(28,29)21-16(2)24-25(3)22(21)23)20(27)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,4,15H2,1-3H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide has a molecular weight of 445.97 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide is sourced from PubChem (CID 3832664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).