2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide

C10H13BrN2O2S — CID 168514192

IUPAC2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cccc1N1CCCC1
InChIInChI=1S/C10H13BrN2O2S/c11-8-4-3-5-9(10(8)16(12,14)15)13-6-1-2-7-13/h3-5H,1-2,6-7H2,(H2,12,14,15)
InChIKeyYKBVGBAQTHLQQQ-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.70
Rot. Bonds2

About 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide

2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168514192) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168514192
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cccc1N1CCCC1
InChIInChI=1S/C10H13BrN2O2S/c11-8-4-3-5-9(10(8)16(12,14)15)13-6-1-2-7-13/h3-5H,1-2,6-7H2,(H2,12,14,15)
InChIKeyYKBVGBAQTHLQQQ-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-bromo-6-pyrrolidin-1-ylphenyl)acetic acid
CID 117115126
2-amino-6-pyrrolidin-1-ylbenzonitrile;sulfamide
CID 67401886
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
CID 117113836
4-pyrrolidin-1-ylnaphthalene-1-sulfonamide
CID 69225532
2-(azetidin-1-yl)-6-bromobenzenecarbothioamide
CID 130547148
3-(2-bromo-6-pyrrolidin-1-ylphenyl)propanoic acid
CID 117114900
1,8-di(piperidin-1-yl)anthracene-9,10-dione
CID 11314827
2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
3-bromo-2-piperidin-1-ylbenzonitrile
CID 171316325
2-(aziridin-1-yl)-6-methylbenzenesulfonic acid
CID 175202856
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide (CID 168514192) is 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide is NS(=O)(=O)c1c(Br)cccc1N1CCCC1.
What is the InChIKey of 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is YKBVGBAQTHLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-8-4-3-5-9(10(8)16(12,14)15)13-6-1-2-7-13/h3-5H,1-2,6-7H2,(H2,12,14,15).
What are the key properties of 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide?
2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 305.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168514192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).