2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C12H17Cl3N2O3S — CID 119964367

IUPAC2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CCCNC2)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O3S.ClH/c1-19-11-5-10(14)12(6-9(11)13)20(17,18)16-8-3-2-4-15-7-8;/h5-6,8,15-16H,2-4,7H2,1H3;1H
InChIKeyWFUPRIIPJNGETF-UHFFFAOYSA-N
MW375.71 g/mol
LogP2.45
Rot. Bonds4

About 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964367) has the molecular formula C12H17Cl3N2O3S and a molecular weight of 375.71 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964367
Molecular FormulaC12H17Cl3N2O3S
Molecular Weight375.71 g/mol
Exact Mass374.00
IUPAC Name2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CCCNC2)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O3S.ClH/c1-19-11-5-10(14)12(6-9(11)13)20(17,18)16-8-3-2-4-15-7-8;/h5-6,8,15-16H,2-4,7H2,1H3;1H
InChIKeyWFUPRIIPJNGETF-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
2-bromo-4,5-dimethoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982732
4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120707170
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
methyl 3-chloro-4-(piperidin-3-ylsulfamoyl)benzoate
CID 119964359
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 9266608
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964367) is 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is COc1cc(Cl)c(S(=O)(=O)NC2CCCNC2)cc1Cl.Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is WFUPRIIPJNGETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S.ClH/c1-19-11-5-10(14)12(6-9(11)13)20(17,18)16-8-3-2-4-15-7-8;/h5-6,8,15-16H,2-4,7H2,1H3;1H.
What are the key properties of 2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 375.71 g/mol, XLogP of 2.45, 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-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).