3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide

C16H22BrNO3S — CID 3261893

IUPAC3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C16H22BrNO3S/c17-13-7-9-15(10-8-13)22(20,21)12-11-16(19)18-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-12H2,(H,18,19)
InChIKeyDGDRKBVEQADCQN-UHFFFAOYSA-N
MW388.33 g/mol
LogP3.45
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide

3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide (PubChem CID 3261893) has the molecular formula C16H22BrNO3S and a molecular weight of 388.33 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide
PubChem CID3261893
Molecular FormulaC16H22BrNO3S
Molecular Weight388.33 g/mol
Exact Mass387.05
IUPAC Name3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C16H22BrNO3S/c17-13-7-9-15(10-8-13)22(20,21)12-11-16(19)18-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-12H2,(H,18,19)
InChIKeyDGDRKBVEQADCQN-UHFFFAOYSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide 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

3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
CID 4576617
3-(4-bromophenyl)sulfonyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]propanamide
CID 9550772
3-[(4-bromophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
CID 27828455
2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
CID 2340213
3-[(4-bromophenyl)sulfonyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 3238751
3-[(4-bromophenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 3353638
1-(Azepan-1-yl)-3-(4-bromophenyl)sulfonylpropan-1-one
CID 4691630
3-(4-bromophenyl)sulfonyl-N-[2-(1-cyclohexenyl)ethyl]propanamide
CID 5239351
2-(4-bromophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4297705
3-(benzenesulfonamido)-N-[2-(4-bromophenyl)sulfanylethyl]propanamide
CID 25161491
(2S)-2-(benzenesulfonyl)-N-[2-(4-bromophenyl)sulfonylethyl]propanamide
CID 40454337
2-[[(4-bromophenyl)sulfonyl](methyl)amino]-N-cycloheptylacetamide
CID 1233552

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide (CID 3261893) is 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)NC1CCCCCC1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide?
The InChIKey is DGDRKBVEQADCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3S/c17-13-7-9-15(10-8-13)22(20,21)12-11-16(19)18-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-12H2,(H,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide?
3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide has a molecular weight of 388.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide is sourced from PubChem (CID 3261893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).