2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide

C16H23BrN2O3S — CID 2955440

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H23BrN2O3S/c1-12(16(20)18-14-6-4-2-3-5-7-14)19-23(21,22)15-10-8-13(17)9-11-15/h8-12,14,19H,2-7H2,1H3,(H,18,20)
InChIKeyVUIQDYAPONCDPS-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.95
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide

2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide (PubChem CID 2955440) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
PubChem CID2955440
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H23BrN2O3S/c1-12(16(20)18-14-6-4-2-3-5-7-14)19-23(21,22)15-10-8-13(17)9-11-15/h8-12,14,19H,2-7H2,1H3,(H,18,20)
InChIKeyVUIQDYAPONCDPS-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide (CID 2955440) is 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide is CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide?
The InChIKey is VUIQDYAPONCDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-12(16(20)18-14-6-4-2-3-5-7-14)19-23(21,22)15-10-8-13(17)9-11-15/h8-12,14,19H,2-7H2,1H3,(H,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide?
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide has a molecular weight of 403.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide is sourced from PubChem (CID 2955440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).