1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide

C11H14BrF2NO4S — CID 83085287

IUPAC1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide
SMILESCOc1cc(CCNS(=O)(=O)CBr)ccc1OC(F)F
InChIInChI=1S/C11H14BrF2NO4S/c1-18-10-6-8(2-3-9(10)19-11(13)14)4-5-15-20(16,17)7-12/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyGDTFECKWPCFKBO-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.11
Rot. Bonds8

About 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide

1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide (PubChem CID 83085287) has the molecular formula C11H14BrF2NO4S and a molecular weight of 374.20 g/mol. Its IUPAC name is 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide
PubChem CID83085287
Molecular FormulaC11H14BrF2NO4S
Molecular Weight374.20 g/mol
Exact Mass372.98
IUPAC Name1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide
SMILESCOc1cc(CCNS(=O)(=O)CBr)ccc1OC(F)F
InChIInChI=1S/C11H14BrF2NO4S/c1-18-10-6-8(2-3-9(10)19-11(13)14)4-5-15-20(16,17)7-12/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyGDTFECKWPCFKBO-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
CID 8817900
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 46820900
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-(3,5-dimethylphenyl)thiourea
CID 8600105
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide (CID 83085287) is 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide is COc1cc(CCNS(=O)(=O)CBr)ccc1OC(F)F.
What is the InChIKey of 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide?
The InChIKey is GDTFECKWPCFKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO4S/c1-18-10-6-8(2-3-9(10)19-11(13)14)4-5-15-20(16,17)7-12/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide?
1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide has a molecular weight of 374.20 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 83085287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).