5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide

C13H16ClN3O2S2 — CID 103286857

IUPAC5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3O2S2/c1-8(11-5-6-13(14)20-11)17-10-4-3-9(15)7-12(10)21(18,19)16-2/h3-8,16-17H,15H2,1-2H3
InChIKeyUEJNNEBXWKFGHX-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.06
Rot. Bonds5

About 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide

5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 103286857) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID103286857
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3O2S2/c1-8(11-5-6-13(14)20-11)17-10-4-3-9(15)7-12(10)21(18,19)16-2/h3-8,16-17H,15H2,1-2H3
InChIKeyUEJNNEBXWKFGHX-UHFFFAOYSA-N
XLogP3.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine
CID 66093344
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
3-amino-4-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 54955056
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide (CID 103286857) is 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC(C)c1ccc(Cl)s1.
What is the InChIKey of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is UEJNNEBXWKFGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-8(11-5-6-13(14)20-11)17-10-4-3-9(15)7-12(10)21(18,19)16-2/h3-8,16-17H,15H2,1-2H3.
What are the key properties of 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 345.88 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).