N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

C21H24N4O3S — CID 43073973

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)n1
InChIInChI=1S/C21H24N4O3S/c1-14(2)24-29(27,28)18-9-7-8-17(13-18)21(26)22-19-10-5-6-11-20(19)25-16(4)12-15(3)23-25/h5-14,24H,1-4H3,(H,22,26)
InChIKeyAZXSCNBMYXEFDD-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 43073973) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID43073973
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)n1
InChIInChI=1S/C21H24N4O3S/c1-14(2)24-29(27,28)18-9-7-8-17(13-18)21(26)22-19-10-5-6-11-20(19)25-16(4)12-15(3)23-25/h5-14,24H,1-4H3,(H,22,26)
InChIKeyAZXSCNBMYXEFDD-UHFFFAOYSA-N
XLogP3.43
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 43073973) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is AZXSCNBMYXEFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14(2)24-29(27,28)18-9-7-8-17(13-18)21(26)22-19-10-5-6-11-20(19)25-16(4)12-15(3)23-25/h5-14,24H,1-4H3,(H,22,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 43073973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).