3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide

C11H15BrN2O4S2 — CID 114447917

IUPAC3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O4S2/c12-10-7-9(19(13,15)16)5-6-11(10)14-20(17,18)8-3-1-2-4-8/h5-8,14H,1-4H2,(H2,13,15,16)
InChIKeyTZKPLMQIGTYNNW-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.78
Rot. Bonds4

About 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide

3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide (PubChem CID 114447917) has the molecular formula C11H15BrN2O4S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
PubChem CID114447917
Molecular FormulaC11H15BrN2O4S2
Molecular Weight383.29 g/mol
Exact Mass381.97
IUPAC Name3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O4S2/c12-10-7-9(19(13,15)16)5-6-11(10)14-20(17,18)8-3-1-2-4-8/h5-8,14H,1-4H2,(H2,13,15,16)
InChIKeyTZKPLMQIGTYNNW-UHFFFAOYSA-N
XLogP1.78
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
CID 104814646
3-bromo-4-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666622
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62084935
3-bromo-4-(propan-2-ylamino)benzenesulfonamide
CID 43745736
N-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62085486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide (CID 114447917) is 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)C2CCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide?
The InChIKey is TZKPLMQIGTYNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S2/c12-10-7-9(19(13,15)16)5-6-11(10)14-20(17,18)8-3-1-2-4-8/h5-8,14H,1-4H2,(H2,13,15,16).
What are the key properties of 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide?
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide has a molecular weight of 383.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 114447917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).