N-(3-bromophenyl)-1-phenylmethanesulfonamide

C13H12BrNO2S — CID 772065

IUPACN-(3-bromophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C13H12BrNO2S/c14-12-7-4-8-13(9-12)15-18(16,17)10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyDNEQFAQGANIVQL-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.39
Rot. Bonds4

About N-(3-bromophenyl)-1-phenylmethanesulfonamide

N-(3-bromophenyl)-1-phenylmethanesulfonamide (PubChem CID 772065) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-phenylmethanesulfonamide
PubChem CID772065
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-(3-bromophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C13H12BrNO2S/c14-12-7-4-8-13(9-12)15-18(16,17)10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyDNEQFAQGANIVQL-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-bromophenyl)-1-phenylmethanesulfonamide (CID 772065) is N-(3-bromophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-1-phenylmethanesulfonamide?
The InChIKey is DNEQFAQGANIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-12-7-4-8-13(9-12)15-18(16,17)10-11-5-2-1-3-6-11/h1-9,15H,10H2.
What are the key properties of N-(3-bromophenyl)-1-phenylmethanesulfonamide?
N-(3-bromophenyl)-1-phenylmethanesulfonamide has a molecular weight of 326.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 772065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).