5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

C11H13N3O4S3 — CID 80728258

IUPAC5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C11H13N3O4S3/c1-13(5-4-8-3-2-6-19-8)21(17,18)10-7-9(14(15)16)11(12)20-10/h2-3,6-7H,4-5,12H2,1H3
InChIKeyWTIOHDASWHGJOY-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.16
Rot. Bonds6

About 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 80728258) has the molecular formula C11H13N3O4S3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID80728258
Molecular FormulaC11H13N3O4S3
Molecular Weight347.44 g/mol
Exact Mass347.01
IUPAC Name5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C11H13N3O4S3/c1-13(5-4-8-3-2-6-19-8)21(17,18)10-7-9(14(15)16)11(12)20-10/h2-3,6-7H,4-5,12H2,1H3
InChIKeyWTIOHDASWHGJOY-UHFFFAOYSA-N
XLogP2.16
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.16
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

5-amino-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80746926
N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733501
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide
CID 80746267
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 80730050
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 80728258) is 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is CN(CCc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is WTIOHDASWHGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S3/c1-13(5-4-8-3-2-6-19-8)21(17,18)10-7-9(14(15)16)11(12)20-10/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80728258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).