3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide

C16H17BrClNO3S — CID 56541366

IUPAC3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C16H17BrClNO3S/c1-11(2)19(13-7-5-4-6-8-13)23(20,21)15-10-12(18)9-14(17)16(15)22-3/h4-11H,1-3H3
InChIKeyLOJYPNIPUZTBHE-UHFFFAOYSA-N
MW418.74 g/mol
LogP4.71
Rot. Bonds5

About 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide

3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 56541366) has the molecular formula C16H17BrClNO3S and a molecular weight of 418.74 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
PubChem CID56541366
Molecular FormulaC16H17BrClNO3S
Molecular Weight418.74 g/mol
Exact Mass416.98
IUPAC Name3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C16H17BrClNO3S/c1-11(2)19(13-7-5-4-6-8-13)23(20,21)15-10-12(18)9-14(17)16(15)22-3/h4-11H,1-3H3
InChIKeyLOJYPNIPUZTBHE-UHFFFAOYSA-N
XLogP4.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 55544609
2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 55642351
4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541458
2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 3739350
2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 31777079
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
5-chloro-2-fluoro-N-(4-methoxyphenyl)-N-(1-phenylethyl)benzenesulfonamide
CID 46023144
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide (CID 56541366) is 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LOJYPNIPUZTBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO3S/c1-11(2)19(13-7-5-4-6-8-13)23(20,21)15-10-12(18)9-14(17)16(15)22-3/h4-11H,1-3H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide?
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 418.74 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56541366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).