2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

C11H11BrClNO3S — CID 65366751

IUPAC2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CCCC1
InChIInChI=1S/C11H11BrClNO3S/c12-9-4-3-8(7-10(9)18(13,16)17)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyZYTMACQRUKXYJL-UHFFFAOYSA-N
MW352.64 g/mol
LogP2.61
Rot. Bonds2

About 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65366751) has the molecular formula C11H11BrClNO3S and a molecular weight of 352.64 g/mol. Its IUPAC name is 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65366751
Molecular FormulaC11H11BrClNO3S
Molecular Weight352.64 g/mol
Exact Mass350.93
IUPAC Name2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CCCC1
InChIInChI=1S/C11H11BrClNO3S/c12-9-4-3-8(7-10(9)18(13,16)17)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyZYTMACQRUKXYJL-UHFFFAOYSA-N
XLogP2.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.64
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azocane-1-carbonyl)-2-bromobenzenesulfonyl chloride
CID 65372007
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
2-bromo-N,N-dimethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78769697
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
(4-amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
CID 54850336
[4-bromo-3-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 81425967
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367398
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
4-bromo-3-(dimethylsulfamoyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29333465
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 32974340

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 65366751) is 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CCCC1.
What is the InChIKey of 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is ZYTMACQRUKXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3S/c12-9-4-3-8(7-10(9)18(13,16)17)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 352.64 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65366751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).