5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide

C13H15ClN2O3S2 — CID 106034891

IUPAC5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-19-11-4-2-9(15)8-12(11)21(17,18)16-7-6-10-3-5-13(14)20-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyYHNRZZBGYKEDDO-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.51
Rot. Bonds6

About 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 106034891) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID106034891
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-19-11-4-2-9(15)8-12(11)21(17,18)16-7-6-10-3-5-13(14)20-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyYHNRZZBGYKEDDO-UHFFFAOYSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106034908
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 61128154
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide (CID 106034891) is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is YHNRZZBGYKEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-19-11-4-2-9(15)8-12(11)21(17,18)16-7-6-10-3-5-13(14)20-10/h2-5,8,16H,6-7,15H2,1H3.
What are the key properties of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 346.86 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106034891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).