N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide

C14H24N4O4S — CID 97346802

IUPACN-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide
SMILESCOCCn1cc2c(n1)[C@@H](NS(=O)(=O)N1CCOCC1)CCC2
InChIInChI=1S/C14H24N4O4S/c1-21-8-5-17-11-12-3-2-4-13(14(12)15-17)16-23(19,20)18-6-9-22-10-7-18/h11,13,16H,2-10H2,1H3/t13-/m0/s1
InChIKeyFQSKISDFKQYKSJ-ZDUSSCGKSA-N
MW344.44 g/mol
LogP0.07
Rot. Bonds6

About N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide

N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide (PubChem CID 97346802) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide
PubChem CID97346802
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide
SMILESCOCCn1cc2c(n1)[C@@H](NS(=O)(=O)N1CCOCC1)CCC2
InChIInChI=1S/C14H24N4O4S/c1-21-8-5-17-11-12-3-2-4-13(14(12)15-17)16-23(19,20)18-6-9-22-10-7-18/h11,13,16H,2-10H2,1H3/t13-/m0/s1
InChIKeyFQSKISDFKQYKSJ-ZDUSSCGKSA-N
XLogP0.07
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide (CID 97346802) is N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide is COCCn1cc2c(n1)[C@@H](NS(=O)(=O)N1CCOCC1)CCC2.
What is the InChIKey of N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide?
The InChIKey is FQSKISDFKQYKSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-21-8-5-17-11-12-3-2-4-13(14(12)15-17)16-23(19,20)18-6-9-22-10-7-18/h11,13,16H,2-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide?
N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 97346802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).