5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide

C8H11ClN2O5S2 — CID 102697574

IUPAC5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C8H11ClN2O5S2/c1-5(16-2)4-10-18(14,15)7-3-6(11(12)13)8(9)17-7/h3,5,10H,4H2,1-2H3
InChIKeyQALPFDBRDUOVKO-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.62
Rot. Bonds6

About 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 102697574) has the molecular formula C8H11ClN2O5S2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
PubChem CID102697574
Molecular FormulaC8H11ClN2O5S2
Molecular Weight314.77 g/mol
Exact Mass313.98
IUPAC Name5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C8H11ClN2O5S2/c1-5(16-2)4-10-18(14,15)7-3-6(11(12)13)8(9)17-7/h3,5,10H,4H2,1-2H3
InChIKeyQALPFDBRDUOVKO-UHFFFAOYSA-N
XLogP1.62
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.62
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'}

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Related Compounds

5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102700474
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542
5-chloro-N-(4-methoxybutyl)-4-nitrothiophene-2-sulfonamide
CID 80741978
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-nitrothiophene-2-sulfonamide
CID 106245241
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-[(4-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
5-chloro-N-[2-(methylsulfamoyl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106336240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide (CID 102697574) is 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide is COC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is QALPFDBRDUOVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O5S2/c1-5(16-2)4-10-18(14,15)7-3-6(11(12)13)8(9)17-7/h3,5,10H,4H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 314.77 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 102697574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).