4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide

C18H19N3O3S — CID 60542205

IUPAC4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O3S/c1-20(25(22,23)18-10-8-17(24-2)9-11-18)14-15-12-13-21(19-15)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChIKeyMVHZWBMUCFNEBT-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.70
Rot. Bonds6

About 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide

4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 60542205) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID60542205
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O3S/c1-20(25(22,23)18-10-8-17(24-2)9-11-18)14-15-12-13-21(19-15)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChIKeyMVHZWBMUCFNEBT-UHFFFAOYSA-N
XLogP2.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
methyl 2-[(1-phenylpyrazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62303933
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
CID 1025614
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide (CID 60542205) is 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is MVHZWBMUCFNEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-20(25(22,23)18-10-8-17(24-2)9-11-18)14-15-12-13-21(19-15)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 60542205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).