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

C13H15ClN2O2S2 — CID 106006773

IUPAC4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(N)cc2Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-6-3-9(15)7-12(13)14/h3-7,16H,2,8,15H2,1H3
InChIKeyKNVZHHXBIYLDIA-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.02
Rot. Bonds5

About 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 106006773) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID106006773
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(N)cc2Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-6-3-9(15)7-12(13)14/h3-7,16H,2,8,15H2,1H3
InChIKeyKNVZHHXBIYLDIA-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

5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837
4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106094666
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106006828

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (CID 106006773) is 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(N)cc2Cl)s1.
What is the InChIKey of 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is KNVZHHXBIYLDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-6-3-9(15)7-12(13)14/h3-7,16H,2,8,15H2,1H3.
What are the key properties of 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
4-amino-2-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 4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106006773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).