N-(4-bromophenyl)ethanesulfinamide

C8H10BrNOS — CID 131021409

IUPACN-(4-bromophenyl)ethanesulfinamide
SMILESCCS(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-2-12(11)10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyIYNIINWTROCIPL-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.54
Rot. Bonds3

About N-(4-bromophenyl)ethanesulfinamide

N-(4-bromophenyl)ethanesulfinamide (PubChem CID 131021409) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is N-(4-bromophenyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(4-bromophenyl)ethanesulfinamide
PubChem CID131021409
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC NameN-(4-bromophenyl)ethanesulfinamide
SMILESCCS(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-2-12(11)10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyIYNIINWTROCIPL-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-bromophenyl)ethanesulfinamide
CID 130892447
N-(4-bromo-2-methylphenyl)ethanesulfinamide
CID 131137861
N-[4-[2-(oxiran-2-yl)propan-2-yloxy]phenyl]ethanesulfinamide
CID 139638530
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
4-(4-bromoanilino)but-2-ynoic acid
CID 115047197
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
3-(4-bromoanilino)pentanenitrile
CID 43368613
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-[(S)-ethylsulfinyl]benzoate
CID 30126317
1-bromo-4-methylbenzene;methylsulfinylmethane
CID 68778706
N-(4-bromophenyl)-2-cyanobutanamide
CID 55207882
1-bromo-4-methylsulfinylbenzene
CID 3013958

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)ethanesulfinamide?
The IUPAC name of N-(4-bromophenyl)ethanesulfinamide (CID 131021409) is N-(4-bromophenyl)ethanesulfinamide.
What is the SMILES notation for N-(4-bromophenyl)ethanesulfinamide?
The canonical SMILES for N-(4-bromophenyl)ethanesulfinamide is CCS(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)ethanesulfinamide?
The InChIKey is IYNIINWTROCIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-2-12(11)10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3.
What are the key properties of N-(4-bromophenyl)ethanesulfinamide?
N-(4-bromophenyl)ethanesulfinamide has a molecular weight of 248.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)ethanesulfinamide is sourced from PubChem (CID 131021409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).