N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride

C11H14Cl2N2O2S2 — CID 119962251

IUPACN-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2O2S2.ClH/c12-9-2-3-10-8(6-9)7-11(17-10)18(15,16)14-5-1-4-13;/h2-3,6-7,14H,1,4-5,13H2;1H
InChIKeyCDKVYVPYVJNMML-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.60
Rot. Bonds5

About N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride

N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride (PubChem CID 119962251) has the molecular formula C11H14Cl2N2O2S2 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
PubChem CID119962251
Molecular FormulaC11H14Cl2N2O2S2
Molecular Weight341.29 g/mol
Exact Mass339.99
IUPAC NameN-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2O2S2.ClH/c12-9-2-3-10-8(6-9)7-11(17-10)18(15,16)14-5-1-4-13;/h2-3,6-7,14H,1,4-5,13H2;1H
InChIKeyCDKVYVPYVJNMML-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide
CID 71860322
5-chloro-N-[2-(propylamino)ethyl]-1-benzothiophene-2-sulfonamide
CID 120715854
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725
5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
CID 120825013
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-2-sulfonamide
CID 119985846
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
3-[1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperidin-4-yl]oxypropan-1-amine
CID 119992787

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride (CID 119962251) is N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride?
The InChIKey is CDKVYVPYVJNMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S2.ClH/c12-9-2-3-10-8(6-9)7-11(17-10)18(15,16)14-5-1-4-13;/h2-3,6-7,14H,1,4-5,13H2;1H.
What are the key properties of N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride?
N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride has a molecular weight of 341.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119962251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).