N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide

C14H19N3O3S — CID 102693125

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCOc1ccccc1CC(C)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C14H19N3O3S/c1-11(10-12-6-4-5-7-13(12)20-3)17(2)21(18,19)14-8-9-15-16-14/h4-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyRCOSIEFEZCAGPU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.67
Rot. Bonds6

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102693125) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102693125
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCOc1ccccc1CC(C)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C14H19N3O3S/c1-11(10-12-6-4-5-7-13(12)20-3)17(2)21(18,19)14-8-9-15-16-14/h4-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyRCOSIEFEZCAGPU-UHFFFAOYSA-N
XLogP1.67
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690477
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
CID 65487789
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide (CID 102693125) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide is COc1ccccc1CC(C)N(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is RCOSIEFEZCAGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11(10-12-6-4-5-7-13(12)20-3)17(2)21(18,19)14-8-9-15-16-14/h4-9,11H,10H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide?
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).