N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride

C13H20Cl2N2O3S — CID 120706224

IUPACN-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C13H19ClN2O3S.ClH/c14-11-4-5-12(19-9-10-2-1-3-10)13(8-11)20(17,18)16-7-6-15;/h4-5,8,10,16H,1-3,6-7,9,15H2;1H
InChIKeyBHERRMLNFQTFSQ-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.18
Rot. Bonds7

About N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120706224) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
PubChem CID120706224
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC NameN-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C13H19ClN2O3S.ClH/c14-11-4-5-12(19-9-10-2-1-3-10)13(8-11)20(17,18)16-7-6-15;/h4-5,8,10,16H,1-3,6-7,9,15H2;1H
InChIKeyBHERRMLNFQTFSQ-UHFFFAOYSA-N
XLogP2.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120713028
N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120706793
5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
CID 126772761
[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine
CID 120708033
N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120713306
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonyl-1,4-diazepane
CID 120707063
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride (CID 120706224) is N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is BHERRMLNFQTFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S.ClH/c14-11-4-5-12(19-9-10-2-1-3-10)13(8-11)20(17,18)16-7-6-15;/h4-5,8,10,16H,1-3,6-7,9,15H2;1H.
What are the key properties of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 355.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).