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

C15H22N4O4S2 — CID 17383073

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N4O4S2/c1-11-14(10-19(5)16-11)25(22,23)17-12-6-8-13(9-7-12)24(20,21)18-15(2,3)4/h6-10,17-18H,1-5H3
InChIKeyLGUSMMIEEGUOOG-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.61
Rot. Bonds5

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

N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 17383073) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID17383073
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N4O4S2/c1-11-14(10-19(5)16-11)25(22,23)17-12-6-8-13(9-7-12)24(20,21)18-15(2,3)4/h6-10,17-18H,1-5H3
InChIKeyLGUSMMIEEGUOOG-UHFFFAOYSA-N
XLogP1.61
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 17383073) is N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is LGUSMMIEEGUOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-11-14(10-19(5)16-11)25(22,23)17-12-6-8-13(9-7-12)24(20,21)18-15(2,3)4/h6-10,17-18H,1-5H3.
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 386.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17383073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).