5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide

C18H17ClN2O2S2 — CID 112983289

IUPAC5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H17ClN2O2S2/c19-17-10-11-18(24-17)25(22,23)21-16-8-6-15(7-9-16)20-13-12-14-4-2-1-3-5-14/h1-11,20-21H,12-13H2
InChIKeyIORNSMVAVAHYIB-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.86
Rot. Bonds7

About 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 112983289) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
PubChem CID112983289
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H17ClN2O2S2/c19-17-10-11-18(24-17)25(22,23)21-16-8-6-15(7-9-16)20-13-12-14-4-2-1-3-5-14/h1-11,20-21H,12-13H2
InChIKeyIORNSMVAVAHYIB-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112983297
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
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5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
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N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-chlorothiophene-2-sulfonamide
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N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide (CID 112983289) is 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(NCCc2ccccc2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is IORNSMVAVAHYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c19-17-10-11-18(24-17)25(22,23)21-16-8-6-15(7-9-16)20-13-12-14-4-2-1-3-5-14/h1-11,20-21H,12-13H2.
What are the key properties of 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 392.93 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112983289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).