N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride

C14H15Cl3N2O2S2 — CID 120722180

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H14Cl2N2O2S2.ClH/c15-13-7-12(14(16)21-13)22(19,20)18-11-3-1-2-8-6-9(17)4-5-10(8)11;/h4-7,11,18H,1-3,17H2;1H
InChIKeyPDHMUVPPGYGSAO-UHFFFAOYSA-N
MW413.78 g/mol
LogP4.41
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride (PubChem CID 120722180) has the molecular formula C14H15Cl3N2O2S2 and a molecular weight of 413.78 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
PubChem CID120722180
Molecular FormulaC14H15Cl3N2O2S2
Molecular Weight413.78 g/mol
Exact Mass411.96
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H14Cl2N2O2S2.ClH/c15-13-7-12(14(16)21-13)22(19,20)18-11-3-1-2-8-6-9(17)4-5-10(8)11;/h4-7,11,18H,1-3,17H2;1H
InChIKeyPDHMUVPPGYGSAO-UHFFFAOYSA-N
XLogP4.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.78
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride (CID 120722180) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride is Cl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride?
The InChIKey is PDHMUVPPGYGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S2.ClH/c15-13-7-12(14(16)21-13)22(19,20)18-11-3-1-2-8-6-9(17)4-5-10(8)11;/h4-7,11,18H,1-3,17H2;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride has a molecular weight of 413.78 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120722180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).