1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide

C14H10Br2N2O2S — CID 60681030

IUPAC1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2N2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-4-2-1-3-10(11)8-17/h1-7,18H,9H2
InChIKeyLBOQSGDLVSMVKZ-UHFFFAOYSA-N
MW430.12 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide

1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide (PubChem CID 60681030) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
PubChem CID60681030
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2N2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-4-2-1-3-10(11)8-17/h1-7,18H,9H2
InChIKeyLBOQSGDLVSMVKZ-UHFFFAOYSA-N
XLogP4.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 29031167
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
CID 75403549
3-[(2,4-dibromoanilino)methyl]-2-fluorobenzonitrile
CID 107114487
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
CID 45330184

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide (CID 60681030) is 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide?
The InChIKey is LBOQSGDLVSMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-4-2-1-3-10(11)8-17/h1-7,18H,9H2.
What are the key properties of 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide has a molecular weight of 430.12 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide is sourced from PubChem (CID 60681030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).