N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C20H23N3O4S — CID 19576918

IUPACN-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(N(Cc2cnn(C)c2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-27-19-7-5-17(6-8-19)23(15-16-13-21-22(2)14-16)28(24,25)20-11-9-18(26-3)10-12-20/h5-14H,4,15H2,1-3H3
InChIKeyLQLWBDDJBJAMMD-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.22
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 19576918) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID19576918
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(N(Cc2cnn(C)c2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-4-27-19-7-5-17(6-8-19)23(15-16-13-21-22(2)14-16)28(24,25)20-11-9-18(26-3)10-12-20/h5-14H,4,15H2,1-3H3
InChIKeyLQLWBDDJBJAMMD-UHFFFAOYSA-N
XLogP3.22
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 55647315
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
2-amino-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61125404
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
N-(4-ethoxyphenyl)-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903642
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
N-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 58896323

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 19576918) is N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is CCOc1ccc(N(Cc2cnn(C)c2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is LQLWBDDJBJAMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-27-19-7-5-17(6-8-19)23(15-16-13-21-22(2)14-16)28(24,25)20-11-9-18(26-3)10-12-20/h5-14H,4,15H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 19576918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).