N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide

C19H21N3O3S — CID 142529385

IUPACN-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C19H21N3O3S/c1-15-3-5-16(6-4-15)13-22(26(23,24)19-11-20-21-12-19)14-17-7-9-18(25-2)10-8-17/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyCOHWDCOYEYCIQT-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.12
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide

N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 142529385) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID142529385
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C19H21N3O3S/c1-15-3-5-16(6-4-15)13-22(26(23,24)19-11-20-21-12-19)14-17-7-9-18(25-2)10-8-17/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyCOHWDCOYEYCIQT-UHFFFAOYSA-N
XLogP3.12
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N,N-bis[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 22036162
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 60917171
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
CID 155068946
5-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3-methylpyridine-2-sulfonamide
CID 178149371

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 142529385) is N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide is COc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is COHWDCOYEYCIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-15-3-5-16(6-4-15)13-22(26(23,24)19-11-20-21-12-19)14-17-7-9-18(25-2)10-8-17/h3-12H,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 142529385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).