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4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

C18H18N4O3S — CID 47835624

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccn[nH]3)cc2)cc1C
InChIInChI=1S/C18H18N4O3S/c1-12-3-8-16(11-13(12)2)26(24,25)22-15-6-4-14(5-7-15)18(23)20-17-9-10-19-21-17/h3-11,22H,1-2H3,(H2,19,20,21,23)
InChIKeyIIXANSHQOLUPAV-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.08
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47835624) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47835624
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccn[nH]3)cc2)cc1C
InChIInChI=1S/C18H18N4O3S/c1-12-3-8-16(11-13(12)2)26(24,25)22-15-6-4-14(5-7-15)18(23)20-17-9-10-19-21-17/h3-11,22H,1-2H3,(H2,19,20,21,23)
InChIKeyIIXANSHQOLUPAV-UHFFFAOYSA-N
XLogP3.08
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (CID 47835624) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccn[nH]3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is IIXANSHQOLUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-3-8-16(11-13(12)2)26(24,25)22-15-6-4-14(5-7-15)18(23)20-17-9-10-19-21-17/h3-11,22H,1-2H3,(H2,19,20,21,23).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47835624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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