5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide

C12H13N5O2S — CID 64851493

IUPAC5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)n[nH]1
InChIInChI=1S/C12H13N5O2S/c1-7-4-12(16-15-7)17-20(18,19)11-6-14-10-3-2-8(13)5-9(10)11/h2-6,14H,13H2,1H3,(H2,15,16,17)
InChIKeyWIZAHJWABWDKAI-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.58
Rot. Bonds3

About 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide

5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide (PubChem CID 64851493) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
PubChem CID64851493
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)n[nH]1
InChIInChI=1S/C12H13N5O2S/c1-7-4-12(16-15-7)17-20(18,19)11-6-14-10-3-2-8(13)5-9(10)11/h2-6,14H,13H2,1H3,(H2,15,16,17)
InChIKeyWIZAHJWABWDKAI-UHFFFAOYSA-N
XLogP1.58
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
CID 64851285
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
CID 64851872
5-amino-N-(4-fluorophenyl)-1H-indole-3-sulfonamide
CID 64853032
5-amino-N-(3-chloro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 103093895
5-amino-N-(2-chloro-3-pyridinyl)-1H-indole-3-sulfonamide
CID 64851484
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104616810
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide (CID 64851493) is 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide is Cc1cc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)n[nH]1.
What is the InChIKey of 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
The InChIKey is WIZAHJWABWDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-7-4-12(16-15-7)17-20(18,19)11-6-14-10-3-2-8(13)5-9(10)11/h2-6,14H,13H2,1H3,(H2,15,16,17).
What are the key properties of 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-methyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64851493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).