2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

C13H15ClN2O2S2 — CID 106006795

IUPAC2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-7-9(14)3-6-12(13)15/h3-7,16H,2,8,15H2,1H3
InChIKeyIWNCPFCAGRPJFI-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.02
Rot. Bonds5

About 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 106006795) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID106006795
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-7-9(14)3-6-12(13)15/h3-7,16H,2,8,15H2,1H3
InChIKeyIWNCPFCAGRPJFI-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 55029578
4-chloro-2-[(5-ethylthiophen-2-yl)methylsulfonyl]aniline
CID 81180425
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
2-amino-5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369128
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (CID 106006795) is 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)s1.
What is the InChIKey of 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is IWNCPFCAGRPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-7-9(14)3-6-12(13)15/h3-7,16H,2,8,15H2,1H3.
What are the key properties of 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106006795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).