5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide

C11H13ClN2O3S2 — CID 106050572

IUPAC5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)o1
InChIInChI=1S/C11H13ClN2O3S2/c12-10-3-2-9(18-10)5-6-14-19(15,16)11-4-1-8(7-13)17-11/h1-4,14H,5-7,13H2
InChIKeySAYDPOGKHRSESN-UHFFFAOYSA-N
MW320.82 g/mol
LogP1.97
Rot. Bonds6

About 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide

5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide (PubChem CID 106050572) has the molecular formula C11H13ClN2O3S2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
PubChem CID106050572
Molecular FormulaC11H13ClN2O3S2
Molecular Weight320.82 g/mol
Exact Mass320.01
IUPAC Name5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)o1
InChIInChI=1S/C11H13ClN2O3S2/c12-10-3-2-9(18-10)5-6-14-19(15,16)11-4-1-8(7-13)17-11/h1-4,14H,5-7,13H2
InChIKeySAYDPOGKHRSESN-UHFFFAOYSA-N
XLogP1.97
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 106095152
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106034908
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
CID 80686088
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
5-(aminomethyl)-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 114188352

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide (CID 106050572) is 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide?
The InChIKey is SAYDPOGKHRSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S2/c12-10-3-2-9(18-10)5-6-14-19(15,16)11-4-1-8(7-13)17-11/h1-4,14H,5-7,13H2.
What are the key properties of 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide?
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide has a molecular weight of 320.82 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106050572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).