3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

C13H17N3O3S — CID 61394212

IUPAC3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1OC(C)C
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-12-5-4-11(8-10(12)3)20(17,18)16-13-6-7-14-15-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeySQTPZNXMIVUCAR-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.31
Rot. Bonds5

About 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61394212) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61394212
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1OC(C)C
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-12-5-4-11(8-10(12)3)20(17,18)16-13-6-7-14-15-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeySQTPZNXMIVUCAR-UHFFFAOYSA-N
XLogP2.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394117
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61394212) is 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1OC(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is SQTPZNXMIVUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)19-12-5-4-11(8-10(12)3)20(17,18)16-13-6-7-14-15-13/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61394212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).