N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C13H18N4O4S2 — CID 22203398

IUPACN-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C13H18N4O4S2/c1-4-14-22(18,19)12-7-5-11(6-8-12)16-23(20,21)13-9-17(3)15-10(13)2/h5-9,14,16H,4H2,1-3H3
InChIKeyBUUICYNBHVPKAX-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.83
Rot. Bonds6

About N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 22203398) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID22203398
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C13H18N4O4S2/c1-4-14-22(18,19)12-7-5-11(6-8-12)16-23(20,21)13-9-17(3)15-10(13)2/h5-9,14,16H,4H2,1-3H3
InChIKeyBUUICYNBHVPKAX-UHFFFAOYSA-N
XLogP0.83
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 22203398) is N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is BUUICYNBHVPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-4-14-22(18,19)12-7-5-11(6-8-12)16-23(20,21)13-9-17(3)15-10(13)2/h5-9,14,16H,4H2,1-3H3.
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 358.45 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22203398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).