4-(2-chloro-5-nitrophenyl)sulfonylmorpholine

C10H11ClN2O5S — CID 3688337

IUPAC4-(2-chloro-5-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H11ClN2O5S/c11-9-2-1-8(13(14)15)7-10(9)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKeyHZUSSXQFEXYNEA-UHFFFAOYSA-N
MW306.73 g/mol
LogP1.27
Rot. Bonds3

About 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine

4-(2-chloro-5-nitrophenyl)sulfonylmorpholine (PubChem CID 3688337) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenyl)sulfonylmorpholine
PubChem CID3688337
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name4-(2-chloro-5-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H11ClN2O5S/c11-9-2-1-8(13(14)15)7-10(9)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKeyHZUSSXQFEXYNEA-UHFFFAOYSA-N
XLogP1.27
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide
CID 3689032
1-({2-Chloro-5-nitrophenyl}sulfonyl)azepane
CID 7738112
4-[(4-Nitrophenyl)sulfonyl]morpholine
CID 236269
2-Chloro-5-nitro-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 3132622
1-Chloro-2-[(4-methylpiperidyl)sulfonyl]-4-nitrobenzene
CID 4417186
4-chloro-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzene-1-sulfonamide hydrochloride
CID 15945419
1-Chloro-2-[(4-methylpiperazinyl)sulfonyl]-4-nitrobenzene
CID 3126365
[(2-Chloro-5-nitrophenyl)sulfonyl][4-(morpholin-4-ylsulfonyl)phenyl]amine
CID 4211620
4-Chloro-N,N-bis-(2-methoxy-ethyl)-3-nitro-benzenesulfonamide
CID 44296991
4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 14622573
1-[(4-Chloro-3-nitrophenyl)sulfonyl]piperidine
CID 2768384
4-Chloro-3-(morpholine-4-sulfonyl)-phenylamine
CID 3158001

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine (CID 3688337) is 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine?
The InChIKey is HZUSSXQFEXYNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c11-9-2-1-8(13(14)15)7-10(9)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine?
4-(2-chloro-5-nitrophenyl)sulfonylmorpholine has a molecular weight of 306.73 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 3688337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).