5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

C14H21BrN2O3S — CID 63301153

IUPAC5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C14H21BrN2O3S/c1-3-8-17(12-6-7-16-10-12)21(18,19)14-9-11(15)4-5-13(14)20-2/h4-5,9,12,16H,3,6-8,10H2,1-2H3
InChIKeyVIKOUVAMPRQGEK-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.22
Rot. Bonds6

About 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63301153) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63301153
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C14H21BrN2O3S/c1-3-8-17(12-6-7-16-10-12)21(18,19)14-9-11(15)4-5-13(14)20-2/h4-5,9,12,16H,3,6-8,10H2,1-2H3
InChIKeyVIKOUVAMPRQGEK-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
CID 119976329
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606983
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63301153) is 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is VIKOUVAMPRQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-8-17(12-6-7-16-10-12)21(18,19)14-9-11(15)4-5-13(14)20-2/h4-5,9,12,16H,3,6-8,10H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63301153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).