4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

C12H16BrClN2O2S — CID 104972468

IUPAC4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O2S/c13-9-3-4-12(11(14)8-9)19(17,18)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2/t10-/m1/s1
InChIKeyLSIHJOCWRAKSOK-SNVBAGLBSA-N
MW367.70 g/mol
LogP2.52
Rot. Bonds5

About 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide

4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (PubChem CID 104972468) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
PubChem CID104972468
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O2S/c13-9-3-4-12(11(14)8-9)19(17,18)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2/t10-/m1/s1
InChIKeyLSIHJOCWRAKSOK-SNVBAGLBSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
2-chloro-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723457
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723543
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
2,6-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723410
2,5-dibromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794097
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide (CID 104972468) is 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is O=S(=O)(NCC[C@H]1CCCN1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is LSIHJOCWRAKSOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c13-9-3-4-12(11(14)8-9)19(17,18)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2/t10-/m1/s1.
What are the key properties of 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide?
4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 104972468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).