N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide

C14H10BrClN2O2S — CID 43237000

IUPACN-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H10BrClN2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-3-1-10(8-17)2-4-11/h1-7,18H,9H2
InChIKeyPBMARTATXOZKJN-UHFFFAOYSA-N
MW385.67 g/mol
LogP3.92
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide

N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 43237000) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID43237000
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H10BrClN2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-3-1-10(8-17)2-4-11/h1-7,18H,9H2
InChIKeyPBMARTATXOZKJN-UHFFFAOYSA-N
XLogP3.92
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 107809713
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
4-[(5-bromo-2-chloroanilino)methyl]benzonitrile
CID 55130313
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide (CID 43237000) is N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is PBMARTATXOZKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c15-12-5-6-14(13(16)7-12)18-21(19,20)9-11-3-1-10(8-17)2-4-11/h1-7,18H,9H2.
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 43237000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).