N-(1H-indazol-5-ylmethyl)ethanesulfonamide

C10H13N3O2S — CID 165111567

IUPACN-(1H-indazol-5-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13)
InChIKeyDECVSTKTZAVTKM-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.00
Rot. Bonds4

About N-(1H-indazol-5-ylmethyl)ethanesulfonamide

N-(1H-indazol-5-ylmethyl)ethanesulfonamide (PubChem CID 165111567) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(1H-indazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-5-ylmethyl)ethanesulfonamide
PubChem CID165111567
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(1H-indazol-5-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13)
InChIKeyDECVSTKTZAVTKM-UHFFFAOYSA-N
XLogP1.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-4-yl)methanesulfonamide
CID 1481965
CID 70689295
CID 70689295
7-Methyl-1H-indazole
CID 820797
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
N-(1H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 8002115
N-(1H-indazol-6-yl)butane-1-sulfonamide
CID 2531217
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide
CID 155424827
5-(Aminomethyl)-1H-indazole
CID 12096223
N-(1H-indazol-5-yl)butane-1-sulfonamide
CID 146018710

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(1H-indazol-5-ylmethyl)ethanesulfonamide (CID 165111567) is N-(1H-indazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(1H-indazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(1H-indazol-5-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is DECVSTKTZAVTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13).
What are the key properties of N-(1H-indazol-5-ylmethyl)ethanesulfonamide?
N-(1H-indazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 165111567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).