N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide

C13H18N4O3S — CID 61276279

IUPACN-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(C)C)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C13H18N4O3S/c1-17(2)9-10-4-5-13(20-3)12(6-10)16-21(18,19)11-7-14-15-8-11/h4-8,16H,9H2,1-3H3,(H,14,15)
InChIKeyNQNCEJFZFYYCKM-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.28
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide

N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61276279) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61276279
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(C)C)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C13H18N4O3S/c1-17(2)9-10-4-5-13(20-3)12(6-10)16-21(18,19)11-7-14-15-8-11/h4-8,16H,9H2,1-3H3,(H,14,15)
InChIKeyNQNCEJFZFYYCKM-UHFFFAOYSA-N
XLogP1.28
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
3-chloro-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 60959328
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 61273698
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
methyl 4-propan-2-yloxy-3-(1H-pyrazol-4-ylsulfonylamino)benzoate
CID 51098554
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide (CID 61276279) is N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide is COc1ccc(CN(C)C)cc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is NQNCEJFZFYYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-17(2)9-10-4-5-13(20-3)12(6-10)16-21(18,19)11-7-14-15-8-11/h4-8,16H,9H2,1-3H3,(H,14,15).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide?
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61276279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).