3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

C15H24BrClN2O3S — CID 120712674

IUPAC3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)cc(OC)c1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-3-8-18(13-4-6-17-7-5-13)22(19,20)15-10-12(16)9-14(11-15)21-2;/h9-11,13,17H,3-8H2,1-2H3;1H
InChIKeyKIVIQNZXQBAJKB-UHFFFAOYSA-N
MW427.79 g/mol
LogP3.03
Rot. Bonds6

About 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 120712674) has the molecular formula C15H24BrClN2O3S and a molecular weight of 427.79 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID120712674
Molecular FormulaC15H24BrClN2O3S
Molecular Weight427.79 g/mol
Exact Mass426.04
IUPAC Name3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)cc(OC)c1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-3-8-18(13-4-6-17-7-5-13)22(19,20)15-10-12(16)9-14(11-15)21-2;/h9-11,13,17H,3-8H2,1-2H3;1H
InChIKeyKIVIQNZXQBAJKB-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993659
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
3-bromo-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709910
3-bromo-5-cyano-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976364
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 120712674) is 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1cc(Br)cc(OC)c1.Cl.
What is the InChIKey of 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is KIVIQNZXQBAJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S.ClH/c1-3-8-18(13-4-6-17-7-5-13)22(19,20)15-10-12(16)9-14(11-15)21-2;/h9-11,13,17H,3-8H2,1-2H3;1H.
What are the key properties of 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 427.79 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).