4-(3-chloro-4-nitrophenyl)sulfonylmorpholine

C10H11ClN2O5S — CID 2380547

IUPAC4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C10H11ClN2O5S/c11-9-7-8(1-2-10(9)13(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKeyLZKXXFOVKQPINX-UHFFFAOYSA-N
MW306.73 g/mol
LogP1.27
Rot. Bonds3

About 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine

4-(3-chloro-4-nitrophenyl)sulfonylmorpholine (PubChem CID 2380547) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
PubChem CID2380547
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C10H11ClN2O5S/c11-9-7-8(1-2-10(9)13(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2
InChIKeyLZKXXFOVKQPINX-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-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55572820
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
2-nitro-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62967617
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26952653
N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 7997947
4-(3-nitro-4-phenylsulfanylphenyl)sulfonylmorpholine
CID 4811406
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890
4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 71905324
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
1-(5-chloro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 23828394

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine (CID 2380547) is 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine?
The InChIKey is LZKXXFOVKQPINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c11-9-7-8(1-2-10(9)13(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(3-chloro-4-nitrophenyl)sulfonylmorpholine?
4-(3-chloro-4-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-(3-chloro-4-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 2380547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).