N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H16N2O5S2 — CID 31771604

IUPACN-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O5S2/c1-21-9-8-15(11-13-3-2-10-22-13)23(19,20)14-6-4-12(5-7-14)16(17)18/h2-7,10H,8-9,11H2,1H3
InChIKeyQVDZRXCLSDCBRR-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.49
Rot. Bonds8

About N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 31771604) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID31771604
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O5S2/c1-21-9-8-15(11-13-3-2-10-22-13)23(19,20)14-6-4-12(5-7-14)16(17)18/h2-7,10H,8-9,11H2,1H3
InChIKeyQVDZRXCLSDCBRR-UHFFFAOYSA-N
XLogP2.49
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
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'}

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39952752
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61040679
N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90583057
N-ethyl-2-methoxy-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39633177
2-thiophen-2-ylethyl 4-nitrobenzenesulfonate
CID 59356725
4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43019357
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 90582794
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 31771604) is N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is COCCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is QVDZRXCLSDCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-21-9-8-15(11-13-3-2-10-22-13)23(19,20)14-6-4-12(5-7-14)16(17)18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 31771604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).