[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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Related Compounds

[4-[(5-bromothiophen-3-yl)methylamino]phenyl]methanesulfonamide
CID 43745273
[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 43745244
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide
CID 62338707
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 107694380
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107124007

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).