N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline

C16H16ClN3O5S — CID 7997947

IUPACN-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O5S/c17-12-2-1-3-13(10-12)18-15-5-4-14(11-16(15)20(21)22)26(23,24)19-6-8-25-9-7-19/h1-5,10-11,18H,6-9H2
InChIKeyXDIRKDVRIPWBHS-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.01
Rot. Bonds5

About N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline

N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline (PubChem CID 7997947) has the molecular formula C16H16ClN3O5S and a molecular weight of 397.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
PubChem CID7997947
Molecular FormulaC16H16ClN3O5S
Molecular Weight397.84 g/mol
Exact Mass397.05
IUPAC NameN-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O5S/c17-12-2-1-3-13(10-12)18-15-5-4-14(11-16(15)20(21)22)26(23,24)19-6-8-25-9-7-19/h1-5,10-11,18H,6-9H2
InChIKeyXDIRKDVRIPWBHS-UHFFFAOYSA-N
XLogP3.01
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26952653
N-(4-morpholin-4-ylphenyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4789989
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
2-(3-morpholin-4-ylsulfonylanilino)-5-nitrobenzonitrile
CID 9332107
4-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804834
N-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352
N-(3-methoxyphenyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 7995764
4-morpholin-4-ylsulfonyl-2-nitro-N-pentylaniline
CID 40714555
N-(3-ethylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline
CID 9311130
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline?
The IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline (CID 7997947) is N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline.
What is the SMILES notation for N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline?
The canonical SMILES for N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline?
The InChIKey is XDIRKDVRIPWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5S/c17-12-2-1-3-13(10-12)18-15-5-4-14(11-16(15)20(21)22)26(23,24)19-6-8-25-9-7-19/h1-5,10-11,18H,6-9H2.
What are the key properties of N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline?
N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline has a molecular weight of 397.84 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline is sourced from PubChem (CID 7997947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).