3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C15H21BrN2O2S — CID 106630030

IUPAC3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Br)c1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H21BrN2O2S/c16-12-4-3-6-15(10-12)21(19,20)18(14-7-8-14)11-13-5-1-2-9-17-13/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2
InChIKeyCMQTUZBDFSIKKR-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.74
Rot. Bonds5

About 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630030) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630030
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Br)c1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H21BrN2O2S/c16-12-4-3-6-15(10-12)21(19,20)18(14-7-8-14)11-13-5-1-2-9-17-13/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2
InChIKeyCMQTUZBDFSIKKR-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106630061
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630030) is 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(Br)c1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is CMQTUZBDFSIKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c16-12-4-3-6-15(10-12)21(19,20)18(14-7-8-14)11-13-5-1-2-9-17-13/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 373.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).