3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide

C15H21BrN2O3S — CID 7014344

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1
InChIInChI=1S/C15H21BrN2O3S/c16-12-6-8-14(9-7-12)22(20,21)17-11-10-15(19)18-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2,(H,18,19)
InChIKeyBJCTVUADMPXWLI-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.57
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide

3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide (PubChem CID 7014344) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide
PubChem CID7014344
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1
InChIInChI=1S/C15H21BrN2O3S/c16-12-6-8-14(9-7-12)22(20,21)17-11-10-15(19)18-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2,(H,18,19)
InChIKeyBJCTVUADMPXWLI-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide (CID 7014344) is 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide?
The InChIKey is BJCTVUADMPXWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c16-12-6-8-14(9-7-12)22(20,21)17-11-10-15(19)18-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2,(H,18,19).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide has a molecular weight of 389.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 7014344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).