1-bromo-N-(4-methoxyphenyl)methanesulfonamide

C8H10BrNO3S — CID 83093726

IUPAC1-bromo-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CBr)cc1
InChIInChI=1S/C8H10BrNO3S/c1-13-8-4-2-7(3-5-8)10-14(11,12)6-9/h2-5,10H,6H2,1H3
InChIKeyDNQKWXQGTJAMAL-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.79
Rot. Bonds4

About 1-bromo-N-(4-methoxyphenyl)methanesulfonamide

1-bromo-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 83093726) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 1-bromo-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(4-methoxyphenyl)methanesulfonamide
PubChem CID83093726
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name1-bromo-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CBr)cc1
InChIInChI=1S/C8H10BrNO3S/c1-13-8-4-2-7(3-5-8)10-14(11,12)6-9/h2-5,10H,6H2,1H3
InChIKeyDNQKWXQGTJAMAL-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 778782
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
1-bromo-N-[4-(2,2,2-trifluoroethoxy)phenyl]methanesulfonamide
CID 83084147
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 83093168
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
(E)-N-(4-methoxyphenyl)prop-1-ene-1-sulfonamide
CID 70401574
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
1-bromo-N-[4-[ethyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 83084852
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
CID 129295019

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(4-methoxyphenyl)methanesulfonamide (CID 83093726) is 1-bromo-N-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(NS(=O)(=O)CBr)cc1.
What is the InChIKey of 1-bromo-N-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is DNQKWXQGTJAMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c1-13-8-4-2-7(3-5-8)10-14(11,12)6-9/h2-5,10H,6H2,1H3.
What are the key properties of 1-bromo-N-(4-methoxyphenyl)methanesulfonamide?
1-bromo-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 280.14 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 83093726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).