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

C16H24Cl2N2O4S — CID 120713306

IUPACN-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1)C1CC1
InChIInChI=1S/C16H23ClN2O4S.ClH/c17-13-3-4-15(23-10-11-5-6-22-9-11)16(7-13)24(20,21)19-8-14(18)12-1-2-12;/h3-4,7,11-12,14,19H,1-2,5-6,8-10,18H2;1H
InChIKeyFGXMUIVLROQJND-UHFFFAOYSA-N
MW411.35 g/mol
LogP2.19
Rot. Bonds8

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

N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120713306) has the molecular formula C16H24Cl2N2O4S and a molecular weight of 411.35 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
PubChem CID120713306
Molecular FormulaC16H24Cl2N2O4S
Molecular Weight411.35 g/mol
Exact Mass410.08
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1)C1CC1
InChIInChI=1S/C16H23ClN2O4S.ClH/c17-13-3-4-15(23-10-11-5-6-22-9-11)16(7-13)24(20,21)19-8-14(18)12-1-2-12;/h3-4,7,11-12,14,19H,1-2,5-6,8-10,18H2;1H
InChIKeyFGXMUIVLROQJND-UHFFFAOYSA-N
XLogP2.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120706793
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708475
N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120706224
5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
CID 126772761
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711707
N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 120713286
[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-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride (CID 120713306) is N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride is Cl.NC(CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is FGXMUIVLROQJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S.ClH/c17-13-3-4-15(23-10-11-5-6-22-9-11)16(7-13)24(20,21)19-8-14(18)12-1-2-12;/h3-4,7,11-12,14,19H,1-2,5-6,8-10,18H2;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 411.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).