6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide

C15H21BrN2O3S — CID 4569214

IUPAC6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)CCCCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-2-11-17-15(19)6-4-3-5-12-18-22(20,21)14-9-7-13(16)8-10-14/h2,7-10,18H,1,3-6,11-12H2,(H,17,19)
InChIKeyTZFAXQUFAUAUMG-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.59
Rot. Bonds10

About 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide

6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide (PubChem CID 4569214) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
PubChem CID4569214
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)CCCCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-2-11-17-15(19)6-4-3-5-12-18-22(20,21)14-9-7-13(16)8-10-14/h2,7-10,18H,1,3-6,11-12H2,(H,17,19)
InChIKeyTZFAXQUFAUAUMG-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide 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

4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
tert-butyl N-[7-[(4-bromophenyl)sulfonylamino]heptyl]carbamate
CID 164863853
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide?
The IUPAC name of 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide (CID 4569214) is 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide.
What is the SMILES notation for 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide?
The canonical SMILES for 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide is C=CCNC(=O)CCCCCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide?
The InChIKey is TZFAXQUFAUAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-2-11-17-15(19)6-4-3-5-12-18-22(20,21)14-9-7-13(16)8-10-14/h2,7-10,18H,1,3-6,11-12H2,(H,17,19).
What are the key properties of 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide?
6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide has a molecular weight of 389.32 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide is sourced from PubChem (CID 4569214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).