4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide

C11H15BrFN3O3S — CID 133440884

IUPAC4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide
SMILESCS(=O)(=O)NCCCNc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C11H15BrFN3O3S/c1-20(18,19)16-4-2-3-15-9-6-7(12)5-8(13)10(9)11(14)17/h5-6,15-16H,2-4H2,1H3,(H2,14,17)
InChIKeyBRMOBUYTMQXZCU-UHFFFAOYSA-N
MW368.23 g/mol
LogP1.04
Rot. Bonds7

About 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide

4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide (PubChem CID 133440884) has the molecular formula C11H15BrFN3O3S and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide
PubChem CID133440884
Molecular FormulaC11H15BrFN3O3S
Molecular Weight368.23 g/mol
Exact Mass367.00
IUPAC Name4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide
SMILESCS(=O)(=O)NCCCNc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C11H15BrFN3O3S/c1-20(18,19)16-4-2-3-15-9-6-7(12)5-8(13)10(9)11(14)17/h5-6,15-16H,2-4H2,1H3,(H2,14,17)
InChIKeyBRMOBUYTMQXZCU-UHFFFAOYSA-N
XLogP1.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
CID 133423424
N-[3-(2-amino-5-bromoanilino)propyl]methanesulfonamide
CID 114174825
4-bromo-2-[2-(cyclopropanecarbonylamino)ethylamino]-6-fluorobenzamide
CID 133441266
2-[2-(azepan-1-yl)ethylamino]-4-bromo-6-fluorobenzamide
CID 133440943
3-bromo-5-[3-(methanesulfonamido)propylamino]benzoic acid
CID 106342763
4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
CID 178170984
4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
CID 133422147
2-bromo-3-fluoro-4-[3-(methanesulfonamido)propylamino]benzenecarbothioamide
CID 106339106
N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
CID 106333784
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 106332450
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide (CID 133440884) is 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide is CS(=O)(=O)NCCCNc1cc(Br)cc(F)c1C(N)=O.
What is the InChIKey of 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide?
The InChIKey is BRMOBUYTMQXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O3S/c1-20(18,19)16-4-2-3-15-9-6-7(12)5-8(13)10(9)11(14)17/h5-6,15-16H,2-4H2,1H3,(H2,14,17).
What are the key properties of 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide?
4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide has a molecular weight of 368.23 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide is sourced from PubChem (CID 133440884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).