N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide

C12H13ClN2O2S2 — CID 43605632

IUPACN-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C12H13ClN2O2S2/c13-11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-2-1-3-5-9/h1-7,10,15H,8,14H2
InChIKeyZPYKMQZKCBNJFG-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.38
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide

N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 43605632) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide
PubChem CID43605632
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC NameN-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C12H13ClN2O2S2/c13-11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-2-1-3-5-9/h1-7,10,15H,8,14H2
InChIKeyZPYKMQZKCBNJFG-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide (CID 43605632) is N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide is NC(CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is ZPYKMQZKCBNJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c13-11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-2-1-3-5-9/h1-7,10,15H,8,14H2.
What are the key properties of N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide?
N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 43605632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).