4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide

C15H22N4O5S2 — CID 71908741

IUPAC4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)CCOC(C)C)c1
InChIInChI=1S/C15H22N4O5S2/c1-11(2)24-6-7-25(20,21)18-14-8-13(26(16,22)23)4-5-15(14)19-10-12(3)9-17-19/h4-5,8-11,18H,6-7H2,1-3H3,(H2,16,22,23)
InChIKeyVOOKTBOZEYQUFR-UHFFFAOYSA-N
MW402.50 g/mol
LogP0.99
Rot. Bonds8

About 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide

4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide (PubChem CID 71908741) has the molecular formula C15H22N4O5S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
PubChem CID71908741
Molecular FormulaC15H22N4O5S2
Molecular Weight402.50 g/mol
Exact Mass402.10
IUPAC Name4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)CCOC(C)C)c1
InChIInChI=1S/C15H22N4O5S2/c1-11(2)24-6-7-25(20,21)18-14-8-13(26(16,22)23)4-5-15(14)19-10-12(3)9-17-19/h4-5,8-11,18H,6-7H2,1-3H3,(H2,16,22,23)
InChIKeyVOOKTBOZEYQUFR-UHFFFAOYSA-N
XLogP0.99
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide (CID 71908741) is 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide is Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)CCOC(C)C)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
The InChIKey is VOOKTBOZEYQUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S2/c1-11(2)24-6-7-25(20,21)18-14-8-13(26(16,22)23)4-5-15(14)19-10-12(3)9-17-19/h4-5,8-11,18H,6-7H2,1-3H3,(H2,16,22,23).
What are the key properties of 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide?
4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide has a molecular weight of 402.50 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 71908741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).