N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide

C8H18ClN3O5S2 — CID 67036711

IUPACN-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide
SMILESCN(C(Cl)CCS(N)(=O)=O)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H18ClN3O5S2/c1-11(8(9)2-7-18(10,13)14)19(15,16)12-3-5-17-6-4-12/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKeyCYSWWBTYRJCFBL-UHFFFAOYSA-N
MW335.84 g/mol
LogP-1.26
Rot. Bonds6

About N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide

N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide (PubChem CID 67036711) has the molecular formula C8H18ClN3O5S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide
PubChem CID67036711
Molecular FormulaC8H18ClN3O5S2
Molecular Weight335.84 g/mol
Exact Mass335.04
IUPAC NameN-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide
SMILESCN(C(Cl)CCS(N)(=O)=O)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H18ClN3O5S2/c1-11(8(9)2-7-18(10,13)14)19(15,16)12-3-5-17-6-4-12/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKeyCYSWWBTYRJCFBL-UHFFFAOYSA-N
XLogP-1.26
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide?
The IUPAC name of N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide (CID 67036711) is N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide is CN(C(Cl)CCS(N)(=O)=O)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide?
The InChIKey is CYSWWBTYRJCFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN3O5S2/c1-11(8(9)2-7-18(10,13)14)19(15,16)12-3-5-17-6-4-12/h8H,2-7H2,1H3,(H2,10,13,14).
What are the key properties of N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide?
N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide has a molecular weight of 335.84 g/mol, XLogP of -1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 67036711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).