3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide

C14H13BrClNO3S — CID 106611620

IUPAC3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C14H13BrClNO3S/c1-20-9-10-3-2-4-11(7-10)17-21(18,19)12-5-6-14(16)13(15)8-12/h2-8,17H,9H2,1H3
InChIKeyIXLUVBSVXBKNGQ-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.05
Rot. Bonds5

About 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide

3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide (PubChem CID 106611620) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
PubChem CID106611620
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C14H13BrClNO3S/c1-20-9-10-3-2-4-11(7-10)17-21(18,19)12-5-6-14(16)13(15)8-12/h2-8,17H,9H2,1H3
InChIKeyIXLUVBSVXBKNGQ-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
CID 56963265
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
CID 171134322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide (CID 106611620) is 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide is COCc1cccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
The InChIKey is IXLUVBSVXBKNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-20-9-10-3-2-4-11(7-10)17-21(18,19)12-5-6-14(16)13(15)8-12/h2-8,17H,9H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 106611620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).