N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide

C15H21ClN4O2S — CID 51499769

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N(C)C
InChIInChI=1S/C15H21ClN4O2S/c1-11-15(10-20(4)18-11)23(21,22)17-9-14(19(2)3)12-7-5-6-8-13(12)16/h5-8,10,14,17H,9H2,1-4H3/t14-/m0/s1
InChIKeyYHOSSHUEJNEGOZ-AWEZNQCLSA-N
MW356.88 g/mol
LogP1.96
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 51499769) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID51499769
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N(C)C
InChIInChI=1S/C15H21ClN4O2S/c1-11-15(10-20(4)18-11)23(21,22)17-9-14(19(2)3)12-7-5-6-8-13(12)16/h5-8,10,14,17H,9H2,1-4H3/t14-/m0/s1
InChIKeyYHOSSHUEJNEGOZ-AWEZNQCLSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 51499769) is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N(C)C.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is YHOSSHUEJNEGOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN4O2S/c1-11-15(10-20(4)18-11)23(21,22)17-9-14(19(2)3)12-7-5-6-8-13(12)16/h5-8,10,14,17H,9H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 356.88 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51499769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).