5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide

C10H9ClN2O4S3 — CID 80742301

IUPAC5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)c1cccs1
InChIInChI=1S/C10H9ClN2O4S3/c1-6(8-3-2-4-18-8)12-20(16,17)9-5-7(13(14)15)10(11)19-9/h2-6,12H,1H3
InChIKeyFNIKXZKSAMZDPB-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.41
Rot. Bonds5

About 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 80742301) has the molecular formula C10H9ClN2O4S3 and a molecular weight of 352.85 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID80742301
Molecular FormulaC10H9ClN2O4S3
Molecular Weight352.85 g/mol
Exact Mass351.94
IUPAC Name5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)c1cccs1
InChIInChI=1S/C10H9ClN2O4S3/c1-6(8-3-2-4-18-8)12-20(16,17)9-5-7(13(14)15)10(11)19-9/h2-6,12H,1H3
InChIKeyFNIKXZKSAMZDPB-UHFFFAOYSA-N
XLogP3.41
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.41
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-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-nitrothiophene-2-sulfonamide
CID 80742459
5-chloro-N-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
CID 112729900
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108335
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102697574
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 80742301) is 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)c1cccs1.
What is the InChIKey of 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is FNIKXZKSAMZDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4S3/c1-6(8-3-2-4-18-8)12-20(16,17)9-5-7(13(14)15)10(11)19-9/h2-6,12H,1H3.
What are the key properties of 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 352.85 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80742301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).