5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide

C12H13N3O4S2 — CID 71944701

IUPAC5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccs1
InChIInChI=1S/C12H13N3O4S2/c13-21(18,19)12-8-9(15(16)17)3-4-11(12)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6H2,(H2,13,18,19)
InChIKeyLSCVLOIVGVDRQG-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.96
Rot. Bonds6

About 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide

5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide (PubChem CID 71944701) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
PubChem CID71944701
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccs1
InChIInChI=1S/C12H13N3O4S2/c13-21(18,19)12-8-9(15(16)17)3-4-11(12)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6H2,(H2,13,18,19)
InChIKeyLSCVLOIVGVDRQG-UHFFFAOYSA-N
XLogP1.96
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
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

2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 62144010
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
3-[5-nitro-2-(2-thiophen-2-ylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 71998112
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
CID 43322707
3-nitro-4-(2-thiophen-2-ylethylamino)benzonitrile
CID 39772802
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692
3-fluoro-5-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 60877639
6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114071530
6-(4-nitro-2-sulfamoylanilino)hexanoic acid
CID 44586646
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
4-fluoro-5-methyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 103591460
2-[2-(4-chlorophenoxy)ethylamino]-5-nitrobenzenesulfonamide
CID 55377873

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The IUPAC name of 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide (CID 71944701) is 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccs1.
What is the InChIKey of 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The InChIKey is LSCVLOIVGVDRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c13-21(18,19)12-8-9(15(16)17)3-4-11(12)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6H2,(H2,13,18,19).
What are the key properties of 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide?
5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide has a molecular weight of 327.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 71944701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).