5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide

C12H13N3O4S2 — CID 43520942

IUPAC5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H13N3O4S2/c13-8-7-11-5-6-12(20-11)21(18,19)14-9-1-3-10(4-2-9)15(16)17/h1-6,14H,7-8,13H2
InChIKeySRPHMPBUFOLGEZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.96
Rot. Bonds6

About 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 43520942) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
PubChem CID43520942
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H13N3O4S2/c13-8-7-11-5-6-12(20-11)21(18,19)14-9-1-3-10(4-2-9)15(16)17/h1-6,14H,7-8,13H2
InChIKeySRPHMPBUFOLGEZ-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

5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 43155736
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-(2-aminoethyl)-N-(2-bromo-5-fluorophenyl)thiophene-2-sulfonamide
CID 107626847

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide (CID 43520942) is 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is SRPHMPBUFOLGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c13-8-7-11-5-6-12(20-11)21(18,19)14-9-1-3-10(4-2-9)15(16)17/h1-6,14H,7-8,13H2.
What are the key properties of 5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide 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-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43520942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).