5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C11H18Cl2N2O3S — CID 120824319

IUPAC5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C11H17ClN2O3S.ClH/c1-8(13-2)7-14-18(15,16)11-6-9(12)4-5-10(11)17-3;/h4-6,8,13-14H,7H2,1-3H3;1H
InChIKeyDTTODWIDTRBDMI-UHFFFAOYSA-N
MW329.25 g/mol
LogP1.66
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120824319) has the molecular formula C11H18Cl2N2O3S and a molecular weight of 329.25 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120824319
Molecular FormulaC11H18Cl2N2O3S
Molecular Weight329.25 g/mol
Exact Mass328.04
IUPAC Name5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C11H17ClN2O3S.ClH/c1-8(13-2)7-14-18(15,16)11-6-9(12)4-5-10(11)17-3;/h4-6,8,13-14H,7H2,1-3H3;1H
InChIKeyDTTODWIDTRBDMI-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120824319) is 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1cc(Cl)ccc1OC.Cl.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is DTTODWIDTRBDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S.ClH/c1-8(13-2)7-14-18(15,16)11-6-9(12)4-5-10(11)17-3;/h4-6,8,13-14H,7H2,1-3H3;1H.
What are the key properties of 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 329.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).