3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide

C15H23BrN2O2S — CID 61059874

IUPAC3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide
SMILESCCCN1CCC(N(C)S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-3-9-18-10-7-14(8-11-18)17(2)21(19,20)15-6-4-5-13(16)12-15/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeySIDWJINXKIYVFF-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.94
Rot. Bonds5

About 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide

3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide (PubChem CID 61059874) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide
PubChem CID61059874
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide
SMILESCCCN1CCC(N(C)S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-3-9-18-10-7-14(8-11-18)17(2)21(19,20)15-6-4-5-13(16)12-15/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeySIDWJINXKIYVFF-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
3-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253102
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide (CID 61059874) is 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide is CCCN1CCC(N(C)S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is SIDWJINXKIYVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-3-9-18-10-7-14(8-11-18)17(2)21(19,20)15-6-4-5-13(16)12-15/h4-6,12,14H,3,7-11H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 61059874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).