N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide

C18H24N4O3S — CID 140554692

IUPACN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(CN2CCOCC2)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C18H24N4O3S/c23-26(24,15-6-2-1-3-7-15)20-22-18-9-5-4-8-16(18)17(19-22)14-21-10-12-25-13-11-21/h1-3,6-7,20H,4-5,8-14H2
InChIKeyMCBDSTMULBCLCP-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.53
Rot. Bonds5

About N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide

N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide (PubChem CID 140554692) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
PubChem CID140554692
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(CN2CCOCC2)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C18H24N4O3S/c23-26(24,15-6-2-1-3-7-15)20-22-18-9-5-4-8-16(18)17(19-22)14-21-10-12-25-13-11-21/h1-3,6-7,20H,4-5,8-14H2
InChIKeyMCBDSTMULBCLCP-UHFFFAOYSA-N
XLogP1.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide (CID 140554692) is N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(CN2CCOCC2)c2c1CCCC2)c1ccccc1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The InChIKey is MCBDSTMULBCLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-26(24,15-6-2-1-3-7-15)20-22-18-9-5-4-8-16(18)17(19-22)14-21-10-12-25-13-11-21/h1-3,6-7,20H,4-5,8-14H2.
What are the key properties of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 140554692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).