N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide

C12H15N3O2S — CID 47364001

IUPACN-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H15N3O2S/c1-2-5-10-6-3-4-7-12(10)15-18(16,17)11-8-13-14-9-11/h3-4,6-9,15H,2,5H2,1H3,(H,13,14)
InChIKeyZZYUXBSSYFVBKZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.16
Rot. Bonds5

About N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide

N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47364001) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47364001
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H15N3O2S/c1-2-5-10-6-3-4-7-12(10)15-18(16,17)11-8-13-14-9-11/h3-4,6-9,15H,2,5H2,1H3,(H,13,14)
InChIKeyZZYUXBSSYFVBKZ-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-(2-ethyl-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267507
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274213
2-(methylamino)-N-(2-propylphenyl)pyridine-4-sulfonamide
CID 62157255
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974

Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide (CID 47364001) is N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide is CCCc1ccccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZZYUXBSSYFVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-5-10-6-3-4-7-12(10)15-18(16,17)11-8-13-14-9-11/h3-4,6-9,15H,2,5H2,1H3,(H,13,14).
What are the key properties of N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide?
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47364001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).