N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide

C14H14BrClN2O2S — CID 66159928

IUPACN-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-21(19,20)18-13-5-3-12(4-6-13)17-9-10-8-11(16)2-7-14(10)15/h2-8,17-18H,9H2,1H3
InChIKeyZOIARQKHUWOFFV-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.09
Rot. Bonds5

About N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide

N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 66159928) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
PubChem CID66159928
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC NameN-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-21(19,20)18-13-5-3-12(4-6-13)17-9-10-8-11(16)2-7-14(10)15/h2-8,17-18H,9H2,1H3
InChIKeyZOIARQKHUWOFFV-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
1-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]-3-methylurea
CID 66159553
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
CID 66160120
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline
CID 133451375
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide (CID 66159928) is N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is ZOIARQKHUWOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-21(19,20)18-13-5-3-12(4-6-13)17-9-10-8-11(16)2-7-14(10)15/h2-8,17-18H,9H2,1H3.
What are the key properties of N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide?
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 66159928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).