N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide

C19H21N3O2S — CID 6624927

IUPACN-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H21N3O2S/c1-16(2)22(15-17-7-4-3-5-8-17)25(23,24)19-11-9-18(10-12-19)21-14-6-13-20-21/h3-14,16H,15H2,1-2H3
InChIKeyMWENUWVMYQNAKR-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.47
Rot. Bonds6

About N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide

N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 6624927) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID6624927
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H21N3O2S/c1-16(2)22(15-17-7-4-3-5-8-17)25(23,24)19-11-9-18(10-12-19)21-14-6-13-20-21/h3-14,16H,15H2,1-2H3
InChIKeyMWENUWVMYQNAKR-UHFFFAOYSA-N
XLogP3.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
Desmethyl Celecoxib
CID 6426663
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)benzyl)piperidin-1-yl)ethyl)cyclohexyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 44435096
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577800
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
4-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide (CID 6624927) is N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is MWENUWVMYQNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-16(2)22(15-17-7-4-3-5-8-17)25(23,24)19-11-9-18(10-12-19)21-14-6-13-20-21/h3-14,16H,15H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide?
N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 6624927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).