N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide

C14H13BrFNO3S — CID 106000006

IUPACN-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(CO)cc1)Nc1c(F)cccc1Br
InChIInChI=1S/C14H13BrFNO3S/c15-12-2-1-3-13(16)14(12)17-21(19,20)9-11-6-4-10(8-18)5-7-11/h1-7,17-18H,8-9H2
InChIKeyRDILVQZXFPKGJL-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.02
Rot. Bonds5

About N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide

N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 106000006) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID106000006
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC NameN-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(CO)cc1)Nc1c(F)cccc1Br
InChIInChI=1S/C14H13BrFNO3S/c15-12-2-1-3-13(16)14(12)17-21(19,20)9-11-6-4-10(8-18)5-7-11/h1-7,17-18H,8-9H2
InChIKeyRDILVQZXFPKGJL-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 107600421
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-(2-bromo-6-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107601145
1-(3-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43256792
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide (CID 106000006) is N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(CO)cc1)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is RDILVQZXFPKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c15-12-2-1-3-13(16)14(12)17-21(19,20)9-11-6-4-10(8-18)5-7-11/h1-7,17-18H,8-9H2.
What are the key properties of N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide?
N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106000006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).