(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone

C15H19BrN2O3S — CID 32615367

IUPAC(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CCCC1
InChIInChI=1S/C15H19BrN2O3S/c16-14-6-5-12(22(20,21)18-9-3-4-10-18)11-13(14)15(19)17-7-1-2-8-17/h5-6,11H,1-4,7-10H2
InChIKeyGSIQQYVUCHJDAE-UHFFFAOYSA-N
MW387.30 g/mol
LogP2.47
Rot. Bonds3

About (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone

(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 32615367) has the molecular formula C15H19BrN2O3S and a molecular weight of 387.30 g/mol. Its IUPAC name is (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID32615367
Molecular FormulaC15H19BrN2O3S
Molecular Weight387.30 g/mol
Exact Mass386.03
IUPAC Name(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CCCC1
InChIInChI=1S/C15H19BrN2O3S/c16-14-6-5-12(22(20,21)18-9-3-4-10-18)11-13(14)15(19)17-7-1-2-8-17/h5-6,11H,1-4,7-10H2
InChIKeyGSIQQYVUCHJDAE-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029616
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769687
(2-bromo-5-methylsulfonylphenyl)-(1,4-diazepan-1-yl)methanone
CID 122147503
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone (CID 32615367) is (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CCCC1.
What is the InChIKey of (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is GSIQQYVUCHJDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3S/c16-14-6-5-12(22(20,21)18-9-3-4-10-18)11-13(14)15(19)17-7-1-2-8-17/h5-6,11H,1-4,7-10H2.
What are the key properties of (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 387.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 32615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).