N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide

C13H16ClN3O3S — CID 154789293

IUPACN-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide
SMILESO=S(=O)(CCOCC1CC1)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C13H16ClN3O3S/c14-13-10-7-15-16-11(10)3-4-12(13)17-21(18,19)6-5-20-8-9-1-2-9/h3-4,7,9,17H,1-2,5-6,8H2,(H,15,16)
InChIKeyHSKNFYJCJJYUHY-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.38
Rot. Bonds7

About N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide

N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide (PubChem CID 154789293) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide
PubChem CID154789293
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide
SMILESO=S(=O)(CCOCC1CC1)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C13H16ClN3O3S/c14-13-10-7-15-16-11(10)3-4-12(13)17-21(18,19)6-5-20-8-9-1-2-9/h3-4,7,9,17H,1-2,5-6,8H2,(H,15,16)
InChIKeyHSKNFYJCJJYUHY-UHFFFAOYSA-N
XLogP2.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide (CID 154789293) is N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide is O=S(=O)(CCOCC1CC1)Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide?
The InChIKey is HSKNFYJCJJYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c14-13-10-7-15-16-11(10)3-4-12(13)17-21(18,19)6-5-20-8-9-1-2-9/h3-4,7,9,17H,1-2,5-6,8H2,(H,15,16).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide?
N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide is sourced from PubChem (CID 154789293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).