N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

C18H17BrF2N2O3S — CID 46823369

IUPACN-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17BrF2N2O3S/c19-13-2-1-3-15(10-13)22-18(24)12-6-8-23(9-7-12)27(25,26)17-11-14(20)4-5-16(17)21/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyDNIAYOZTZCEXPW-UHFFFAOYSA-N
MW459.31 g/mol
LogP3.77
Rot. Bonds4

About N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46823369) has the molecular formula C18H17BrF2N2O3S and a molecular weight of 459.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46823369
Molecular FormulaC18H17BrF2N2O3S
Molecular Weight459.31 g/mol
Exact Mass458.01
IUPAC NameN-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17BrF2N2O3S/c19-13-2-1-3-15(10-13)22-18(24)12-6-8-23(9-7-12)27(25,26)17-11-14(20)4-5-16(17)21/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyDNIAYOZTZCEXPW-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide
CID 55514825
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
N-(3-bromophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935021
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
1-(2,5-difluorophenyl)sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 46536758
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(3-bromophenyl)-1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351963
1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 22429087
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 46823369) is N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DNIAYOZTZCEXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3S/c19-13-2-1-3-15(10-13)22-18(24)12-6-8-23(9-7-12)27(25,26)17-11-14(20)4-5-16(17)21/h1-5,10-12H,6-9H2,(H,22,24).
What are the key properties of N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 459.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46823369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).