2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide

C19H21BrClN3O3S — CID 4806473

IUPAC2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H21BrClN3O3S/c20-14-4-6-15(7-5-14)22-13-19(25)23-18-12-16(8-9-17(18)21)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25)
InChIKeyVWLKVOYRGYKKBE-UHFFFAOYSA-N
MW486.82 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4806473) has the molecular formula C19H21BrClN3O3S and a molecular weight of 486.82 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4806473
Molecular FormulaC19H21BrClN3O3S
Molecular Weight486.82 g/mol
Exact Mass485.02
IUPAC Name2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H21BrClN3O3S/c20-14-4-6-15(7-5-14)22-13-19(25)23-18-12-16(8-9-17(18)21)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25)
InChIKeyVWLKVOYRGYKKBE-UHFFFAOYSA-N
XLogP4.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.82
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(tert-butylamino)acetamide
CID 17409340
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083596
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 4806473) is 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CNc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is VWLKVOYRGYKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O3S/c20-14-4-6-15(7-5-14)22-13-19(25)23-18-12-16(8-9-17(18)21)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25).
What are the key properties of 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 486.82 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4806473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).