N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide

C13H17BrN2O3S — CID 110342560

IUPACN-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O3S/c14-11-3-5-12(6-4-11)15-13(17)7-10-20(18,19)16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyBDSDCRIVKZTEAW-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.20
Rot. Bonds5

About N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide

N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide (PubChem CID 110342560) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
PubChem CID110342560
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC NameN-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O3S/c14-11-3-5-12(6-4-11)15-13(17)7-10-20(18,19)16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyBDSDCRIVKZTEAW-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343215
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342661
5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299885
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 4075609
N-(2,3-dichlorophenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342707

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide (CID 110342560) is N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide is O=C(CCS(=O)(=O)N1CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The InChIKey is BDSDCRIVKZTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c14-11-3-5-12(6-4-11)15-13(17)7-10-20(18,19)16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17).
What are the key properties of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide has a molecular weight of 361.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).