N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide

C16H19N3O5S2 — CID 16933141

IUPACN-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O5S2/c20-19(21)14-1-3-15(4-2-14)26(22,23)17-11-16(13-5-10-25-12-13)18-6-8-24-9-7-18/h1-5,10,12,16-17H,6-9,11H2
InChIKeyLRDQXTWTFWSDMM-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.01
Rot. Bonds7

About N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide

N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide (PubChem CID 16933141) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
PubChem CID16933141
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O5S2/c20-19(21)14-1-3-15(4-2-14)26(22,23)17-11-16(13-5-10-25-12-13)18-6-8-24-9-7-18/h1-5,10,12,16-17H,6-9,11H2
InChIKeyLRDQXTWTFWSDMM-UHFFFAOYSA-N
XLogP2.01
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
4-(1,1-dioxothiazinan-2-yl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 71796504
4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606937
3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606873
4-ethoxy-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933173
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 16933162
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide (CID 16933141) is N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide?
The InChIKey is LRDQXTWTFWSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c20-19(21)14-1-3-15(4-2-14)26(22,23)17-11-16(13-5-10-25-12-13)18-6-8-24-9-7-18/h1-5,10,12,16-17H,6-9,11H2.
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide?
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 16933141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).