N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

C18H19N3O2S — CID 17491199

IUPACN,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-15-8-10-18(11-9-15)24(22,23)20(2)13-16-12-19-21(14-16)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3
InChIKeyLARLIDIQWFBWMY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.00
Rot. Bonds5

About N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 17491199) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID17491199
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-15-8-10-18(11-9-15)24(22,23)20(2)13-16-12-19-21(14-16)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3
InChIKeyLARLIDIQWFBWMY-UHFFFAOYSA-N
XLogP3.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 25468393
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294
N,2,3-trimethyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495371
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 24504644
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 55702442
N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416540

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 17491199) is N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is LARLIDIQWFBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-15-8-10-18(11-9-15)24(22,23)20(2)13-16-12-19-21(14-16)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 17491199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).