2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide

C13H16N4O3S — CID 17436993

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccccc1C(N)=O
InChIInChI=1S/C13H16N4O3S/c1-8-12(9(2)16-15-8)21(19,20)17(3)11-7-5-4-6-10(11)13(14)18/h4-7H,1-3H3,(H2,14,18)(H,15,16)
InChIKeyXGDPFIUNNMZDQZ-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.95
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide (PubChem CID 17436993) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
PubChem CID17436993
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccccc1C(N)=O
InChIInChI=1S/C13H16N4O3S/c1-8-12(9(2)16-15-8)21(19,20)17(3)11-7-5-4-6-10(11)13(14)18/h4-7H,1-3H3,(H2,14,18)(H,15,16)
InChIKeyXGDPFIUNNMZDQZ-UHFFFAOYSA-N
XLogP0.95
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide (CID 17436993) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccccc1C(N)=O.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide?
The InChIKey is XGDPFIUNNMZDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-12(9(2)16-15-8)21(19,20)17(3)11-7-5-4-6-10(11)13(14)18/h4-7H,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide has a molecular weight of 308.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 17436993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).