N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C16H21ClN4O3S — CID 8823097

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H21ClN4O3S/c1-11-16(12(2)20(3)18-11)25(22,23)19-14-10-13(17)4-5-15(14)21-6-8-24-9-7-21/h4-5,10,19H,6-9H2,1-3H3
InChIKeyBAMJOTOHRJEWRV-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.33
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8823097) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8823097
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H21ClN4O3S/c1-11-16(12(2)20(3)18-11)25(22,23)19-14-10-13(17)4-5-15(14)21-6-8-24-9-7-21/h4-5,10,19H,6-9H2,1-3H3
InChIKeyBAMJOTOHRJEWRV-UHFFFAOYSA-N
XLogP2.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8823097) is N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is BAMJOTOHRJEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-11-16(12(2)20(3)18-11)25(22,23)19-14-10-13(17)4-5-15(14)21-6-8-24-9-7-21/h4-5,10,19H,6-9H2,1-3H3.
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 384.89 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8823097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).