N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide

C18H18N4O3S — CID 86991515

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(C)c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-13-8-9-15(20-18(23)14-11-19-22(2)12-14)10-17(13)21-26(24,25)16-6-4-3-5-7-16/h3-12,21H,1-2H3,(H,20,23)
InChIKeyIASVOFWRZBCQRJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.78
Rot. Bonds5

About N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 86991515) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
PubChem CID86991515
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(C)c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-13-8-9-15(20-18(23)14-11-19-22(2)12-14)10-17(13)21-26(24,25)16-6-4-3-5-7-16/h3-12,21H,1-2H3,(H,20,23)
InChIKeyIASVOFWRZBCQRJ-UHFFFAOYSA-N
XLogP2.78
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
1-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9426498
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55705641

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide (CID 86991515) is N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(C)c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is IASVOFWRZBCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-8-9-15(20-18(23)14-11-19-22(2)12-14)10-17(13)21-26(24,25)16-6-4-3-5-7-16/h3-12,21H,1-2H3,(H,20,23).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86991515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).