N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide

C21H24N4O3S — CID 8531874

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C21H24N4O3S/c1-14-10-11-17(12-20(14)29(22,27)28)21(26)24(4)13-19-15(2)23-25(16(19)3)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H2,22,27,28)
InChIKeyUTALWXFAAPZQJE-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.72
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide (PubChem CID 8531874) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide
PubChem CID8531874
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C21H24N4O3S/c1-14-10-11-17(12-20(14)29(22,27)28)21(26)24(4)13-19-15(2)23-25(16(19)3)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H2,22,27,28)
InChIKeyUTALWXFAAPZQJE-UHFFFAOYSA-N
XLogP2.72
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
3-Cyclopropyl-5-[[2'-(phenylcarbonylaminosulfonyl)-1,1'-biphenyl-4-yl]methyl]-1-propyl-1H-pyrazole-4-carboxamide
CID 10506677
3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298781
4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-(4-Methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155550206
4-[5-Phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155557877
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137
(3,5-Dimethylpyrazol-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2130720
N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354077
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 2710663

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide (CID 8531874) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1S(N)(=O)=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide?
The InChIKey is UTALWXFAAPZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-10-11-17(12-20(14)29(22,27)28)21(26)24(4)13-19-15(2)23-25(16(19)3)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H2,22,27,28).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide has a molecular weight of 412.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,4-dimethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 8531874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).