N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide

C13H15ClN2O2S2 — CID 63233810

IUPACN-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-9-16(11-5-3-10(15)4-6-11)20(17,18)13-8-7-12(14)19-13/h3-8H,2,9,15H2,1H3
InChIKeyRWTUWVREDSOSNM-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.59
Rot. Bonds5

About N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide

N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide (PubChem CID 63233810) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
PubChem CID63233810
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC NameN-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-9-16(11-5-3-10(15)4-6-11)20(17,18)13-8-7-12(14)19-13/h3-8H,2,9,15H2,1H3
InChIKeyRWTUWVREDSOSNM-UHFFFAOYSA-N
XLogP3.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide (CID 63233810) is N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide?
The InChIKey is RWTUWVREDSOSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-2-9-16(11-5-3-10(15)4-6-11)20(17,18)13-8-7-12(14)19-13/h3-8H,2,9,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide?
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 63233810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).