N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H23N3O3S — CID 110780871

IUPACN-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1cc(C)c(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C16H23N3O3S/c1-6-22-15-8-10(2)14(7-11(15)3)9-17-23(20,21)16-12(4)18-19-13(16)5/h7-8,17H,6,9H2,1-5H3,(H,18,19)
InChIKeySIFBTTCCISSTNR-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.52
Rot. Bonds6

About N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110780871) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110780871
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1cc(C)c(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C16H23N3O3S/c1-6-22-15-8-10(2)14(7-11(15)3)9-17-23(20,21)16-12(4)18-19-13(16)5/h7-8,17H,6,9H2,1-5H3,(H,18,19)
InChIKeySIFBTTCCISSTNR-UHFFFAOYSA-N
XLogP2.52
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61300828
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720166
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110780871) is N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCOc1cc(C)c(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1C.
What is the InChIKey of N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SIFBTTCCISSTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-6-22-15-8-10(2)14(7-11(15)3)9-17-23(20,21)16-12(4)18-19-13(16)5/h7-8,17H,6,9H2,1-5H3,(H,18,19).
What are the key properties of N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110780871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).