N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide

C26H30N4O3S — CID 121253137

IUPACN-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(C)c1Cn1nc(C2CC3CCC2C3)cc1C(=O)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C26H30N4O3S/c1-16-5-3-6-17(2)23(16)15-30-25(14-24(28-30)22-12-18-9-10-19(22)11-18)26(31)29-34(32,33)21-8-4-7-20(27)13-21/h3-8,13-14,18-19,22H,9-12,15,27H2,1-2H3,(H,29,31)
InChIKeyKYHBOSNFLUKOFM-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.15
Rot. Bonds6

About N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide

N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 121253137) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID121253137
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(C)c1Cn1nc(C2CC3CCC2C3)cc1C(=O)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C26H30N4O3S/c1-16-5-3-6-17(2)23(16)15-30-25(14-24(28-30)22-12-18-9-10-19(22)11-18)26(31)29-34(32,33)21-8-4-7-20(27)13-21/h3-8,13-14,18-19,22H,9-12,15,27H2,1-2H3,(H,29,31)
InChIKeyKYHBOSNFLUKOFM-UHFFFAOYSA-N
XLogP4.15
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252002
3-[5-(benzenesulfonylcarbamoyl)-1-[(2,6-dimethylphenyl)methyl]pyrazol-3-yl]benzoic acid
CID 121251118
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 121253134
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 121252916
N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251851
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-(naphthalen-1-ylmethyl)pyrazole-5-carboxamide
CID 121253120
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]pyrazole-5-carboxamide
CID 121253143
N-(3-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 121252842
N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562
N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251222
N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
CID 71890926
3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(1H-indazol-4-ylsulfonyl)pyrazole-5-carboxamide
CID 121252416

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide (CID 121253137) is N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide is Cc1cccc(C)c1Cn1nc(C2CC3CCC2C3)cc1C(=O)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is KYHBOSNFLUKOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-16-5-3-6-17(2)23(16)15-30-25(14-24(28-30)22-12-18-9-10-19(22)11-18)26(31)29-34(32,33)21-8-4-7-20(27)13-21/h3-8,13-14,18-19,22H,9-12,15,27H2,1-2H3,(H,29,31).
What are the key properties of N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide?
N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121253137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).