2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate

C12H15N3O4S — CID 155946386

IUPAC2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate
SMILESCc1cc(C(=O)OCCNS(C)(=O)=O)c2[nH]ncc2c1
InChIInChI=1S/C12H15N3O4S/c1-8-5-9-7-13-15-11(9)10(6-8)12(16)19-4-3-14-20(2,17)18/h5-7,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyXYEWTDMRIKIITN-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.58
Rot. Bonds5

About 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate

2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate (PubChem CID 155946386) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate.

Molecular Properties

Compound Name2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate
PubChem CID155946386
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate
SMILESCc1cc(C(=O)OCCNS(C)(=O)=O)c2[nH]ncc2c1
InChIInChI=1S/C12H15N3O4S/c1-8-5-9-7-13-15-11(9)10(6-8)12(16)19-4-3-14-20(2,17)18/h5-7,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyXYEWTDMRIKIITN-UHFFFAOYSA-N
XLogP0.58
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 176998352
CID 176998352
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
CID 167971765
7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
CID 119227464
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
CID 119369476
cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678335
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
CID 120945039
(5-methyl-1H-indazol-7-yl)methanol
CID 76846426
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate
CID 171662055

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate?
The IUPAC name of 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate (CID 155946386) is 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate.
What is the SMILES notation for 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate?
The canonical SMILES for 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate is Cc1cc(C(=O)OCCNS(C)(=O)=O)c2[nH]ncc2c1.
What is the InChIKey of 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate?
The InChIKey is XYEWTDMRIKIITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-5-9-7-13-15-11(9)10(6-8)12(16)19-4-3-14-20(2,17)18/h5-7,14H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate?
2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate has a molecular weight of 297.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)ethyl 5-methyl-1H-indazole-7-carboxylate is sourced from PubChem (CID 155946386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).