3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide

C14H19BrClNO2S — CID 106012518

IUPAC3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO2S/c15-13-10-12(7-8-14(13)16)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2
InChIKeyRNPSQZXFBADFQQ-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.35
Rot. Bonds6

About 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide

3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide (PubChem CID 106012518) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
PubChem CID106012518
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCC1CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO2S/c15-13-10-12(7-8-14(13)16)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2
InChIKeyRNPSQZXFBADFQQ-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
CID 63422598
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide (CID 106012518) is 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide is O=S(=O)(NCCCC1CCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The InChIKey is RNPSQZXFBADFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c15-13-10-12(7-8-14(13)16)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2.
What are the key properties of 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide has a molecular weight of 380.74 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide is sourced from PubChem (CID 106012518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).