N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide

C14H13BrClNO2S — CID 2987747

IUPACN-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO2S/c1-20(18,19)17(14-5-3-2-4-13(14)16)10-11-6-8-12(15)9-7-11/h2-9H,10H2,1H3
InChIKeyQGXCYGBHHXSOFJ-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.07
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide

N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide (PubChem CID 2987747) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide
PubChem CID2987747
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC NameN-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO2S/c1-20(18,19)17(14-5-3-2-4-13(14)16)10-11-6-8-12(15)9-7-11/h2-9H,10H2,1H3
InChIKeyQGXCYGBHHXSOFJ-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromobenzyl)-N',N'-dimethyl-N-phenylsulfamide
CID 2225801
N-(2-chlorobenzyl)-N-phenylmethanesulfonamide
CID 1265100
N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide
CID 71974147
4-bromo-N-(2-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 140106431
N-(2-chloro-6-fluorobenzyl)-N-(2-chlorophenyl)methanesulfonamide
CID 2986088
N-(2-chlorophenyl)-N-(4-fluorobenzyl)methanesulfonamide
CID 2986389
N-(2-chlorophenyl)-N-(2-fluorobenzyl)methanesulfonamide
CID 2988760
N-(4-bromobenzyl)-N-(2-fluorophenyl)methanesulfonamide
CID 16481565
N-(4-bromobenzyl)-N-(4-fluorophenyl)methanesulfonamide
CID 16481569
N-(3-bromophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]methanesulfonamide
CID 60253971
N-[(4-bromo-2-fluorophenyl)methyl]-N-(3-bromophenyl)methanesulfonamide
CID 60254033
N-(4-bromo-2-chlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 72101812

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide (CID 2987747) is N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
The InChIKey is QGXCYGBHHXSOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-20(18,19)17(14-5-3-2-4-13(14)16)10-11-6-8-12(15)9-7-11/h2-9H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide?
N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 2987747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).