2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

C11H12ClNO3S — CID 18071831

IUPAC2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1ccccc1S(=O)(=O)Cl)N1CCCC1
InChIInChI=1S/C11H12ClNO3S/c12-17(15,16)10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChIKeyNSYRRTPFWMZQFK-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.85
Rot. Bonds2

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

2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 18071831) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID18071831
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1ccccc1S(=O)(=O)Cl)N1CCCC1
InChIInChI=1S/C11H12ClNO3S/c12-17(15,16)10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChIKeyNSYRRTPFWMZQFK-UHFFFAOYSA-N
XLogP1.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)benzenesulfonyl chloride
CID 115559844
4-methyl-2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65454308
2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 107392530
2-(azepane-1-carbonyl)-4-methylbenzenesulfonyl chloride
CID 65454498
2-(azepane-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 60876776
5-(azepane-1-carbonyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368273
2,4-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65366845
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 18071831) is 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is O=C(c1ccccc1S(=O)(=O)Cl)N1CCCC1.
What is the InChIKey of 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is NSYRRTPFWMZQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-17(15,16)10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 18071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).