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

C19H27ClN4O5S — CID 3701408

IUPAC5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H27ClN4O5S/c1-5-28-16-12-15(24-7-9-27-10-8-24)17(29-6-2)11-14(16)22-30(25,26)18-13(3)21-23(4)19(18)20/h11-12,22H,5-10H2,1-4H3
InChIKeyQBFVVUIZMSDODT-UHFFFAOYSA-N
MW458.97 g/mol
LogP2.82
Rot. Bonds8

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

5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 3701408) has the molecular formula C19H27ClN4O5S and a molecular weight of 458.97 g/mol. Its IUPAC name is 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID3701408
Molecular FormulaC19H27ClN4O5S
Molecular Weight458.97 g/mol
Exact Mass458.14
IUPAC Name5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H27ClN4O5S/c1-5-28-16-12-15(24-7-9-27-10-8-24)17(29-6-2)11-14(16)22-30(25,26)18-13(3)21-23(4)19(18)20/h11-12,22H,5-10H2,1-4H3
InChIKeyQBFVVUIZMSDODT-UHFFFAOYSA-N
XLogP2.82
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2747437
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 3691440
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3667102
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008110
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
CID 55879787
N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 4847534
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 3701408) is 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is QBFVVUIZMSDODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O5S/c1-5-28-16-12-15(24-7-9-27-10-8-24)17(29-6-2)11-14(16)22-30(25,26)18-13(3)21-23(4)19(18)20/h11-12,22H,5-10H2,1-4H3.
What are the key properties of 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 458.97 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3701408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).