3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide

C15H23BrN2O2S — CID 106630601

IUPAC3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCCCN1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-2-10-18(12-14-7-3-4-9-17-14)21(19,20)15-8-5-6-13(16)11-15/h5-6,8,11,14,17H,2-4,7,9-10,12H2,1H3
InChIKeyHBFRNBATXOFJLF-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.99
Rot. Bonds6

About 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide

3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 106630601) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID106630601
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCCCN1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-2-10-18(12-14-7-3-4-9-17-14)21(19,20)15-8-5-6-13(16)11-15/h5-6,8,11,14,17H,2-4,7,9-10,12H2,1H3
InChIKeyHBFRNBATXOFJLF-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106630606
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
N-(piperidin-2-ylmethyl)-N-propylcyclohexanesulfonamide
CID 106630664

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide (CID 106630601) is 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCCCN1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is HBFRNBATXOFJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-2-10-18(12-14-7-3-4-9-17-14)21(19,20)15-8-5-6-13(16)11-15/h5-6,8,11,14,17H,2-4,7,9-10,12H2,1H3.
What are the key properties of 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide?
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 106630601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).