2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C13H20BrClN2O3S — CID 120725133

IUPAC2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2C)c(Br)c1.Cl
InChIInChI=1S/C13H19BrN2O3S.ClH/c1-9-8-15-6-5-12(9)16-20(17,18)13-4-3-10(19-2)7-11(13)14;/h3-4,7,9,12,15-16H,5-6,8H2,1-2H3;1H
InChIKeyUBPACQBXRICFHC-UHFFFAOYSA-N
MW399.74 g/mol
LogP2.16
Rot. Bonds4

About 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120725133) has the molecular formula C13H20BrClN2O3S and a molecular weight of 399.74 g/mol. Its IUPAC name is 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120725133
Molecular FormulaC13H20BrClN2O3S
Molecular Weight399.74 g/mol
Exact Mass398.01
IUPAC Name2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2C)c(Br)c1.Cl
InChIInChI=1S/C13H19BrN2O3S.ClH/c1-9-8-15-6-5-12(9)16-20(17,18)13-4-3-10(19-2)7-11(13)14;/h3-4,7,9,12,15-16H,5-6,8H2,1-2H3;1H
InChIKeyUBPACQBXRICFHC-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
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
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120725133) is 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CCNCC2C)c(Br)c1.Cl.
What is the InChIKey of 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is UBPACQBXRICFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S.ClH/c1-9-8-15-6-5-12(9)16-20(17,18)13-4-3-10(19-2)7-11(13)14;/h3-4,7,9,12,15-16H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 399.74 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120725133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).