3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C21H24N4O3S — CID 46423962

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C21H24N4O3S/c1-16(2)24(3)29(27,28)20-10-5-8-18(14-20)21(26)23-19-9-4-7-17(13-19)15-25-12-6-11-22-25/h4-14,16H,15H2,1-3H3,(H,23,26)
InChIKeySBGPPJCXQCZRQN-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.21
Rot. Bonds7

About 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 46423962) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID46423962
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C21H24N4O3S/c1-16(2)24(3)29(27,28)20-10-5-8-18(14-20)21(26)23-19-9-4-7-17(13-19)15-25-12-6-11-22-25/h4-14,16H,15H2,1-3H3,(H,23,26)
InChIKeySBGPPJCXQCZRQN-UHFFFAOYSA-N
XLogP3.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46424040
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 75400123
N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26499284
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 167797293
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 9224121

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 46423962) is 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is SBGPPJCXQCZRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16(2)24(3)29(27,28)20-10-5-8-18(14-20)21(26)23-19-9-4-7-17(13-19)15-25-12-6-11-22-25/h4-14,16H,15H2,1-3H3,(H,23,26).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 46423962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).