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

C10H12ClN3O3S — CID 138046747

IUPACN-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C10H12ClN3O3S/c1-17-4-5-18(15,16)14-9-3-2-8-7(10(9)11)6-12-13-8/h2-3,6,14H,4-5H2,1H3,(H,12,13)
InChIKeyNZEILCZFBMOELD-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.60
Rot. Bonds5

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

N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide (PubChem CID 138046747) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide
PubChem CID138046747
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C10H12ClN3O3S/c1-17-4-5-18(15,16)14-9-3-2-8-7(10(9)11)6-12-13-8/h2-3,6,14H,4-5H2,1H3,(H,12,13)
InChIKeyNZEILCZFBMOELD-UHFFFAOYSA-N
XLogP1.60
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 16304770
N-(1H-indazol-5-yl)butane-1-sulfonamide
CID 146018710
N-(1H-indazol-5-yl)ethenesulfonamide
CID 168281216
4-Chloro-1H-indazol-5-amine
CID 53399310
4-chloro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 3011187
N-(3-chloro-1H-indazol-5-yl)-4-fluoro-butane-1-sulfonamide
CID 137523290
N-(1H-indazol-5-yl)ethanesulfonamide
CID 60650264
N-(3-chloro-1H-indazol-5-yl)butane-1-sulfonamide
CID 137523298
N-(3-chloro-1H-indazol-5-yl)pentane-1-sulfonamide
CID 137524851
N-(3-chloro-6-methyl-1H-indazol-5-yl)butane-1-sulfonamide
CID 137524988
N-(1H-indazol-5-yl)-2-sulfanylethanesulfonamide
CID 164946689
N-(4-chloro-1H-indazol-5-yl)-4-fluorobutane-1-sulfonamide
CID 138046750

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide (CID 138046747) is N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide?
The InChIKey is NZEILCZFBMOELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c1-17-4-5-18(15,16)14-9-3-2-8-7(10(9)11)6-12-13-8/h2-3,6,14H,4-5H2,1H3,(H,12,13).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide?
N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide has a molecular weight of 289.74 g/mol, XLogP of 1.60, 5 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-methoxyethanesulfonamide is sourced from PubChem (CID 138046747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).