2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C13H19Cl3N2O3S — CID 120724939

IUPAC2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CCNCC2C)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O3S.ClH/c1-8-7-16-4-3-11(8)17-21(18,19)13-6-9(14)12(20-2)5-10(13)15;/h5-6,8,11,16-17H,3-4,7H2,1-2H3;1H
InChIKeyHXLTWHPJHACKNU-UHFFFAOYSA-N
MW389.73 g/mol
LogP2.70
Rot. Bonds4

About 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120724939) has the molecular formula C13H19Cl3N2O3S and a molecular weight of 389.73 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120724939
Molecular FormulaC13H19Cl3N2O3S
Molecular Weight389.73 g/mol
Exact Mass388.02
IUPAC Name2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CCNCC2C)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O3S.ClH/c1-8-7-16-4-3-11(8)17-21(18,19)13-6-9(14)12(20-2)5-10(13)15;/h5-6,8,11,16-17H,3-4,7H2,1-2H3;1H
InChIKeyHXLTWHPJHACKNU-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724693
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120724939) is 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is COc1cc(Cl)c(S(=O)(=O)NC2CCNCC2C)cc1Cl.Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is HXLTWHPJHACKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S.ClH/c1-8-7-16-4-3-11(8)17-21(18,19)13-6-9(14)12(20-2)5-10(13)15;/h5-6,8,11,16-17H,3-4,7H2,1-2H3;1H.
What are the key properties of 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 389.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).