4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide

C13H15BrN2O3S2 — CID 106035151

IUPAC4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccc(Br)s2)ccc1N
InChIInChI=1S/C13H15BrN2O3S2/c1-19-12-8-10(3-4-11(12)15)21(17,18)16-7-6-9-2-5-13(14)20-9/h2-5,8,16H,6-7,15H2,1H3
InChIKeyQSGMIUMIHXJOLM-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.62
Rot. Bonds6

About 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide

4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide (PubChem CID 106035151) has the molecular formula C13H15BrN2O3S2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
PubChem CID106035151
Molecular FormulaC13H15BrN2O3S2
Molecular Weight391.31 g/mol
Exact Mass389.97
IUPAC Name4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccc(Br)s2)ccc1N
InChIInChI=1S/C13H15BrN2O3S2/c1-19-12-8-10(3-4-11(12)15)21(17,18)16-7-6-9-2-5-13(14)20-9/h2-5,8,16H,6-7,15H2,1H3
InChIKeyQSGMIUMIHXJOLM-UHFFFAOYSA-N
XLogP2.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.62
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
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzenesulfonamide
CID 106035186
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106035121
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 81441299
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 61127962
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide (CID 106035151) is 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCCc2ccc(Br)s2)ccc1N.
What is the InChIKey of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is QSGMIUMIHXJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S2/c1-19-12-8-10(3-4-11(12)15)21(17,18)16-7-6-9-2-5-13(14)20-9/h2-5,8,16H,6-7,15H2,1H3.
What are the key properties of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide?
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 391.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 106035151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).