4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide

C12H15N5O3S — CID 105358140

IUPAC4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(N)nn1C
InChIInChI=1S/C12H15N5O3S/c1-7-10(11(13)15-17(7)2)21(19,20)16-9-5-3-8(4-6-9)12(14)18/h3-6,16H,1-2H3,(H2,13,15)(H2,14,18)
InChIKeyBXZDPDSTJKSVMC-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.21
Rot. Bonds4

About 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide

4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 105358140) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID105358140
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(N)nn1C
InChIInChI=1S/C12H15N5O3S/c1-7-10(11(13)15-17(7)2)21(19,20)16-9-5-3-8(4-6-9)12(14)18/h3-6,16H,1-2H3,(H2,13,15)(H2,14,18)
InChIKeyBXZDPDSTJKSVMC-UHFFFAOYSA-N
XLogP0.21
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
4-[3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]benzamide
CID 141199028
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358658
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide (CID 105358140) is 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide is Cc1c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(N)nn1C.
What is the InChIKey of 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is BXZDPDSTJKSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-7-10(11(13)15-17(7)2)21(19,20)16-9-5-3-8(4-6-9)12(14)18/h3-6,16H,1-2H3,(H2,13,15)(H2,14,18).
What are the key properties of 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide?
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 309.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 105358140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).