2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid

C11H17N3O5S — CID 43697511

IUPAC2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C11H17N3O5S/c15-5-4-14-10-3-1-2-9(8(10)6-12-14)13-20(18,19)7-11(16)17/h6,9,13,15H,1-5,7H2,(H,16,17)
InChIKeyFNTLNTXMSJWCLW-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.74
Rot. Bonds6

About 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid

2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid (PubChem CID 43697511) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid
PubChem CID43697511
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C11H17N3O5S/c15-5-4-14-10-3-1-2-9(8(10)6-12-14)13-20(18,19)7-11(16)17/h6,9,13,15H,1-5,7H2,(H,16,17)
InChIKeyFNTLNTXMSJWCLW-UHFFFAOYSA-N
XLogP-0.74
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 63679207
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
3-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 75082165
3-[(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 59152897
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80560605
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
CID 61156494
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79286729

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid (CID 43697511) is 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid?
The InChIKey is FNTLNTXMSJWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c15-5-4-14-10-3-1-2-9(8(10)6-12-14)13-20(18,19)7-11(16)17/h6,9,13,15H,1-5,7H2,(H,16,17).
What are the key properties of 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid?
2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid has a molecular weight of 303.34 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid is sourced from PubChem (CID 43697511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).