N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide

C14H14BrNO2S — CID 55202713

IUPACN-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Br
InChIInChI=1S/C14H14BrNO2S/c1-11-7-8-13(9-14(11)15)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyKHJXRLHCAVZZFB-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.70
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide

N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 55202713) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID55202713
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Br
InChIInChI=1S/C14H14BrNO2S/c1-11-7-8-13(9-14(11)15)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyKHJXRLHCAVZZFB-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
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N-(3-bromo-4-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80691145
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
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CID 6457501

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide (CID 55202713) is N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is KHJXRLHCAVZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-7-8-13(9-14(11)15)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide?
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 55202713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).