[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide

C14H15BrN2O2S — CID 43745169

IUPAC[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)10-20(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
InChIKeyRRXNSLRPAVARCX-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.85
Rot. Bonds5

About [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide

[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 43745169) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
PubChem CID43745169
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)10-20(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
InChIKeyRRXNSLRPAVARCX-UHFFFAOYSA-N
XLogP2.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide (CID 43745169) is [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCc2ccc(Br)cc2)cc1.
What is the InChIKey of [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is RRXNSLRPAVARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)10-20(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19).
What are the key properties of [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide?
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43745169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).