N-(1H-indazol-6-yl)butane-1-sulfonamide

C11H15N3O2S — CID 2531217

IUPACN-(1H-indazol-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-5-4-9-8-12-13-11(9)7-10/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)
InChIKeyHBHXBYUWZKEAAS-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.10
Rot. Bonds5

About N-(1H-indazol-6-yl)butane-1-sulfonamide

N-(1H-indazol-6-yl)butane-1-sulfonamide (PubChem CID 2531217) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)butane-1-sulfonamide
PubChem CID2531217
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(1H-indazol-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-5-4-9-8-12-13-11(9)7-10/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)
InChIKeyHBHXBYUWZKEAAS-UHFFFAOYSA-N
XLogP2.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indazol-6-amine
CID 81423
6-Nitroindazole
CID 24239
1H-Indazole
CID 9221
N-(1H-indazol-4-yl)methanesulfonamide
CID 1481965
N-(1-methylindazol-6-yl)butane-1-sulfonamide
CID 70689295
4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide
CID 137523337
N-(1H-indazol-6-yl)benzenesulfonamide
CID 2444871
(5-Methyl-1H-indazol-6-yl)boronic acid
CID 44119483
4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
CID 83696
6-Methyl-1H-indazole
CID 12639191
N-(1H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 8002115
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide
CID 155424827

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)butane-1-sulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)butane-1-sulfonamide (CID 2531217) is N-(1H-indazol-6-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)butane-1-sulfonamide?
The InChIKey is HBHXBYUWZKEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-5-4-9-8-12-13-11(9)7-10/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-(1H-indazol-6-yl)butane-1-sulfonamide?
N-(1H-indazol-6-yl)butane-1-sulfonamide has a molecular weight of 253.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)butane-1-sulfonamide is sourced from PubChem (CID 2531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).