2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride

C15H12BrCl2NO3S — CID 50895334

IUPAC2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
SMILESCc1c(Cl)cccc1N(CC(=O)Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO3S/c1-10-13(17)3-2-4-14(10)19(9-15(18)20)23(21,22)12-7-5-11(16)6-8-12/h2-8H,9H2,1H3
InChIKeyKPZNKQISAXGFBZ-UHFFFAOYSA-N
MW437.14 g/mol
LogP4.37
Rot. Bonds5

About 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride

2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride (PubChem CID 50895334) has the molecular formula C15H12BrCl2NO3S and a molecular weight of 437.14 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
PubChem CID50895334
Molecular FormulaC15H12BrCl2NO3S
Molecular Weight437.14 g/mol
Exact Mass434.91
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
SMILESCc1c(Cl)cccc1N(CC(=O)Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO3S/c1-10-13(17)3-2-4-14(10)19(9-15(18)20)23(21,22)12-7-5-11(16)6-8-12/h2-8H,9H2,1H3
InChIKeyKPZNKQISAXGFBZ-UHFFFAOYSA-N
XLogP4.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.14
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892385
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
CID 50890911
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676647
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
(2S)-2-[(4-bromophenyl)methyl-[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100732817
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide
CID 4200682

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride (CID 50895334) is 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride is Cc1c(Cl)cccc1N(CC(=O)Cl)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride?
The InChIKey is KPZNKQISAXGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO3S/c1-10-13(17)3-2-4-14(10)19(9-15(18)20)23(21,22)12-7-5-11(16)6-8-12/h2-8H,9H2,1H3.
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride?
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride has a molecular weight of 437.14 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride is sourced from PubChem (CID 50895334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).