N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide

C12H17N3O2S — CID 135121350

IUPACN-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyKOCNIUOZWPMKDF-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.41
Rot. Bonds5

About N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide

N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide (PubChem CID 135121350) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
PubChem CID135121350
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyKOCNIUOZWPMKDF-UHFFFAOYSA-N
XLogP2.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide (CID 135121350) is N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2n[nH]c(C)c2c1.
What is the InChIKey of N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide?
The InChIKey is KOCNIUOZWPMKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide?
N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 135121350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).