3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide

C15H15BrClNO3S — CID 55544609

IUPAC3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H15BrClNO3S/c1-10(11-6-4-3-5-7-11)18-22(19,20)14-9-12(17)8-13(16)15(14)21-2/h3-10,18H,1-2H3
InChIKeyNHQPJMYWOUFUSN-UHFFFAOYSA-N
MW404.71 g/mol
LogP4.15
Rot. Bonds5

About 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide

3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 55544609) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
PubChem CID55544609
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC Name3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H15BrClNO3S/c1-10(11-6-4-3-5-7-11)18-22(19,20)14-9-12(17)8-13(16)15(14)21-2/h3-10,18H,1-2H3
InChIKeyNHQPJMYWOUFUSN-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541366
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide (CID 55544609) is 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is NHQPJMYWOUFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c1-10(11-6-4-3-5-7-11)18-22(19,20)14-9-12(17)8-13(16)15(14)21-2/h3-10,18H,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 55544609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).