N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C15H21N3O3S — CID 127266824

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C15H21N3O3S/c1-9-8-13(21-5)6-7-14(9)22(19,20)18-12(4)15-10(2)16-17-11(15)3/h6-8,12,18H,1-5H3,(H,16,17)
InChIKeyLSXUEXTXXOKBFZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 127266824) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID127266824
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C15H21N3O3S/c1-9-8-13(21-5)6-7-14(9)22(19,20)18-12(4)15-10(2)16-17-11(15)3/h6-8,12,18H,1-5H3,(H,16,17)
InChIKeyLSXUEXTXXOKBFZ-UHFFFAOYSA-N
XLogP2.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 110724539
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
2-[(4-methoxy-2-methylphenyl)sulfonylamino]pent-4-enoic acid
CID 146127888
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785308
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 127266824) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2c(C)n[nH]c2C)c(C)c1.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is LSXUEXTXXOKBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-8-13(21-5)6-7-14(9)22(19,20)18-12(4)15-10(2)16-17-11(15)3/h6-8,12,18H,1-5H3,(H,16,17).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 127266824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).