N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

C18H19BrF2N2O3S — CID 43011602

IUPACN-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCCC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrF2N2O3S/c1-2-17(12-3-5-13(19)6-4-12)23-18(24)9-10-22-27(25,26)14-7-8-15(20)16(21)11-14/h3-8,11,17,22H,2,9-10H2,1H3,(H,23,24)
InChIKeyHVWYZCONLRCDEQ-UHFFFAOYSA-N
MW461.33 g/mol
LogP3.66
Rot. Bonds8

About N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 43011602) has the molecular formula C18H19BrF2N2O3S and a molecular weight of 461.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID43011602
Molecular FormulaC18H19BrF2N2O3S
Molecular Weight461.33 g/mol
Exact Mass460.03
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCCC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrF2N2O3S/c1-2-17(12-3-5-13(19)6-4-12)23-18(24)9-10-22-27(25,26)14-7-8-15(20)16(21)11-14/h3-8,11,17,22H,2,9-10H2,1H3,(H,23,24)
InChIKeyHVWYZCONLRCDEQ-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55349114
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
CID 55976936
methyl 3-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate
CID 46657423
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 43011602) is N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is CCC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is HVWYZCONLRCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2N2O3S/c1-2-17(12-3-5-13(19)6-4-12)23-18(24)9-10-22-27(25,26)14-7-8-15(20)16(21)11-14/h3-8,11,17,22H,2,9-10H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 461.33 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43011602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).