4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide

C16H15BrClN3O5S — CID 55791699

IUPAC4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClN3O5S/c1-21(27(25,26)12-5-2-10(17)3-6-12)9-15(23)19-20-16(24)13-8-11(18)4-7-14(13)22/h2-8,22H,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyPWZRCALHYJBSBW-UHFFFAOYSA-N
MW476.74 g/mol
LogP1.89
Rot. Bonds5

About 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 55791699) has the molecular formula C16H15BrClN3O5S and a molecular weight of 476.74 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID55791699
Molecular FormulaC16H15BrClN3O5S
Molecular Weight476.74 g/mol
Exact Mass474.96
IUPAC Name4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClN3O5S/c1-21(27(25,26)12-5-2-10(17)3-6-12)9-15(23)19-20-16(24)13-8-11(18)4-7-14(13)22/h2-8,22H,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyPWZRCALHYJBSBW-UHFFFAOYSA-N
XLogP1.89
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.74
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(5-bromo-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 55376510
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 22109787
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 32925814
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 55791699) is 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is CN(CC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is PWZRCALHYJBSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O5S/c1-21(27(25,26)12-5-2-10(17)3-6-12)9-15(23)19-20-16(24)13-8-11(18)4-7-14(13)22/h2-8,22H,9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 476.74 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55791699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).