N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide

C14H14BrNO3S — CID 139341837

IUPACN-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide
SMILESCc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-5-3-4-6-13(10)19-14-8-7-11(9-12(14)15)16-20(2,17)18/h3-9,16H,1-2H3
InChIKeyADYDNYBFJSFLIV-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.92
Rot. Bonds4

About N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide

N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide (PubChem CID 139341837) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide
PubChem CID139341837
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide
SMILESCc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-5-3-4-6-13(10)19-14-8-7-11(9-12(14)15)16-20(2,17)18/h3-9,16H,1-2H3
InChIKeyADYDNYBFJSFLIV-UHFFFAOYSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
CID 139341514
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
N-[3-[bis[(2-bromophenyl)methyl]amino]-4-methoxyphenyl]methanesulfonamide
CID 18512101
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
3-amino-4-(2-methylphenoxy)benzenesulfonic acid
CID 18959894

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide (CID 139341837) is N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide is Cc1ccccc1Oc1ccc(NS(C)(=O)=O)cc1Br.
What is the InChIKey of N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide?
The InChIKey is ADYDNYBFJSFLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-10-5-3-4-6-13(10)19-14-8-7-11(9-12(14)15)16-20(2,17)18/h3-9,16H,1-2H3.
What are the key properties of N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide?
N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 139341837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).