N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride

C14H22Cl2N2O4S — CID 120706793

IUPACN-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C14H21ClN2O4S.ClH/c15-12-2-3-13(21-10-11-4-7-20-9-11)14(8-12)22(18,19)17-6-1-5-16;/h2-3,8,11,17H,1,4-7,9-10,16H2;1H
InChIKeyDULBDSWUZRNKTP-UHFFFAOYSA-N
MW385.31 g/mol
LogP1.80
Rot. Bonds8

About N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride

N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120706793) has the molecular formula C14H22Cl2N2O4S and a molecular weight of 385.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
PubChem CID120706793
Molecular FormulaC14H22Cl2N2O4S
Molecular Weight385.31 g/mol
Exact Mass384.07
IUPAC NameN-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C14H21ClN2O4S.ClH/c15-12-2-3-13(21-10-11-4-7-20-9-11)14(8-12)22(18,19)17-6-1-5-16;/h2-3,8,11,17H,1,4-7,9-10,16H2;1H
InChIKeyDULBDSWUZRNKTP-UHFFFAOYSA-N
XLogP1.80
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120713306
N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120706224
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708475
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711707
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120713028
5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
CID 126772761
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
N-[2-(4-aminophenyl)ethyl]-3-fluoro-4-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 120715810
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
N-(3-aminopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 28542730

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride (CID 120706793) is N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is DULBDSWUZRNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S.ClH/c15-12-2-3-13(21-10-11-4-7-20-9-11)14(8-12)22(18,19)17-6-1-5-16;/h2-3,8,11,17H,1,4-7,9-10,16H2;1H.
What are the key properties of N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 385.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).