5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H21BrN2O3S — CID 8843266

IUPAC5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCC1
InChIInChI=1S/C14H21BrN2O3S/c1-20-13-6-5-12(15)11-14(13)21(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyKWXSHNUOFGRHQA-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.22
Rot. Bonds7

About 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 8843266) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID8843266
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCC1
InChIInChI=1S/C14H21BrN2O3S/c1-20-13-6-5-12(15)11-14(13)21(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyKWXSHNUOFGRHQA-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
5-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methoxybenzenesulfonamide
CID 21092199
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 8843266) is 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is KWXSHNUOFGRHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-20-13-6-5-12(15)11-14(13)21(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.22, 7 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-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 8843266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).