N-(1H-indazol-5-yl)butane-1-sulfonamide

C11H15N3O2S — CID 146018710

IUPACN-(1H-indazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)
InChIKeyOPXDHLZGQKADDC-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.10
Rot. Bonds5

About N-(1H-indazol-5-yl)butane-1-sulfonamide

N-(1H-indazol-5-yl)butane-1-sulfonamide (PubChem CID 146018710) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)butane-1-sulfonamide
PubChem CID146018710
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(1H-indazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)
InChIKeyOPXDHLZGQKADDC-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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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(1H-indazol-5-yl)butane-1-sulfonamide (CID 146018710) is N-(1H-indazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1H-indazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1H-indazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)butane-1-sulfonamide?
The InChIKey is OPXDHLZGQKADDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-(1H-indazol-5-yl)butane-1-sulfonamide?
N-(1H-indazol-5-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-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 146018710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).