3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide

C12H13ClN2O2S2 — CID 61469000

IUPAC3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(N)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-8(11-5-6-12(13)18-11)15-19(16,17)10-4-2-3-9(14)7-10/h2-8,15H,14H2,1H3
InChIKeyPOTXLJORUUDBMD-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 61469000) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID61469000
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(N)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-8(11-5-6-12(13)18-11)15-19(16,17)10-4-2-3-9(14)7-10/h2-8,15H,14H2,1H3
InChIKeyPOTXLJORUUDBMD-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
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

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61468700
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
CID 61468769
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421448
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 34154732
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 103286857
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide (CID 61469000) is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cccc(N)c1)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is POTXLJORUUDBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-8(11-5-6-12(13)18-11)15-19(16,17)10-4-2-3-9(14)7-10/h2-8,15H,14H2,1H3.
What are the key properties of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61469000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).