N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide

C17H17N3O2S — CID 35521142

IUPACN-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C17H17N3O2S/c1-14-11-12-20(18-14)17-9-7-16(8-10-17)19-23(21,22)13-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3
InChIKeyLMNLVBFTJXFPCU-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide

N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 35521142) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID35521142
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C17H17N3O2S/c1-14-11-12-20(18-14)17-9-7-16(8-10-17)19-23(21,22)13-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3
InChIKeyLMNLVBFTJXFPCU-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
CID 35521147
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide
CID 110352351
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
CID 110778693
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-1-phenylmethanesulfonamide
CID 110735017
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098
1-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanesulfonamide
CID 46397273
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide (CID 35521142) is N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide is Cc1ccn(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is LMNLVBFTJXFPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-14-11-12-20(18-14)17-9-7-16(8-10-17)19-23(21,22)13-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3.
What are the key properties of N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide?
N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 35521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).