5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide

C13H15ClN2O4S3 — CID 133451579

IUPAC5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2O4S3/c1-22(17,18)11-4-2-10(3-5-11)15-8-9-16-23(19,20)13-7-6-12(14)21-13/h2-7,15-16H,8-9H2,1H3
InChIKeyIYXBQUQNTXLYJL-UHFFFAOYSA-N
MW394.93 g/mol
LogP2.20
Rot. Bonds7

About 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide (PubChem CID 133451579) has the molecular formula C13H15ClN2O4S3 and a molecular weight of 394.93 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
PubChem CID133451579
Molecular FormulaC13H15ClN2O4S3
Molecular Weight394.93 g/mol
Exact Mass393.99
IUPAC Name5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2O4S3/c1-22(17,18)11-4-2-10(3-5-11)15-8-9-16-23(19,20)13-7-6-12(14)21-13/h2-7,15-16H,8-9H2,1H3
InChIKeyIYXBQUQNTXLYJL-UHFFFAOYSA-N
XLogP2.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 122150712
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325526
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110397622
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
CID 4996654
2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 41340918
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide (CID 133451579) is 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide is CS(=O)(=O)c1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The InChIKey is IYXBQUQNTXLYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S3/c1-22(17,18)11-4-2-10(3-5-11)15-8-9-16-23(19,20)13-7-6-12(14)21-13/h2-7,15-16H,8-9H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide has a molecular weight of 394.93 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133451579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).