3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

C19H21N3O3S — CID 42282486

IUPAC3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)22-13-19(15(3)20-22)26(23,24)21-16-9-11-18(12-10-16)25-17-7-5-4-6-8-17/h4-14,21H,1-3H3
InChIKeyPBVGBXGXMQOYCY-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.37
Rot. Bonds6

About 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282486) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282486
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)22-13-19(15(3)20-22)26(23,24)21-16-9-11-18(12-10-16)25-17-7-5-4-6-8-17/h4-14,21H,1-3H3
InChIKeyPBVGBXGXMQOYCY-UHFFFAOYSA-N
XLogP4.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282484
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676255
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42282470
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282486) is 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is PBVGBXGXMQOYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(2)22-13-19(15(3)20-22)26(23,24)21-16-9-11-18(12-10-16)25-17-7-5-4-6-8-17/h4-14,21H,1-3H3.
What are the key properties of 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).