N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide

C14H13BrClNO3S — CID 55676131

IUPACN-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C14H13BrClNO3S/c1-9-3-4-10(7-12(9)15)17-21(18,19)11-5-6-14(20-2)13(16)8-11/h3-8,17H,1-2H3
InChIKeyFKRBISSDDMKTLE-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.22
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide

N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 55676131) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
PubChem CID55676131
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC NameN-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C14H13BrClNO3S/c1-9-3-4-10(7-12(9)15)17-21(18,19)11-5-6-14(20-2)13(16)8-11/h3-8,17H,1-2H3
InChIKeyFKRBISSDDMKTLE-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
CID 110730867
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide (CID 55676131) is N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is FKRBISSDDMKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-9-3-4-10(7-12(9)15)17-21(18,19)11-5-6-14(20-2)13(16)8-11/h3-8,17H,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide?
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 55676131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).