N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide

C24H23N3O2S — CID 132849370

IUPACN-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C24H23N3O2S/c1-19-13-15-23(16-14-19)30(28,29)27(17-21-9-5-3-6-10-21)24-18-26(25-20(24)2)22-11-7-4-8-12-22/h3-16,18H,17H2,1-2H3
InChIKeyHCQGIRXDWDARAJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.88
Rot. Bonds6

About N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide

N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide (PubChem CID 132849370) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
PubChem CID132849370
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C24H23N3O2S/c1-19-13-15-23(16-14-19)30(28,29)27(17-21-9-5-3-6-10-21)24-18-26(25-20(24)2)22-11-7-4-8-12-22/h3-16,18H,17H2,1-2H3
InChIKeyHCQGIRXDWDARAJ-UHFFFAOYSA-N
XLogP4.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-[4-[4-[benzenesulfonyl(benzyl)amino]-3-methylphenyl]-2-methylphenyl]-N-benzylbenzenesulfonamide
CID 118986827
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide
CID 132562198
N-benzyl-N-(1,3-dimethylindol-2-yl)-4-methylbenzenesulfonamide
CID 132549747
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide (CID 132849370) is N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cn(-c3ccccc3)nc2C)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is HCQGIRXDWDARAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-19-13-15-23(16-14-19)30(28,29)27(17-21-9-5-3-6-10-21)24-18-26(25-20(24)2)22-11-7-4-8-12-22/h3-16,18H,17H2,1-2H3.
What are the key properties of N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 132849370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).