2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C19H21BrN2O3S — CID 110824094

IUPAC2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21BrN2O3S/c20-16-6-8-17(9-7-16)21-14-19(23)15-4-10-18(11-5-15)26(24,25)22-12-2-1-3-13-22/h4-11,21H,1-3,12-14H2
InChIKeyHEHCUBLNVPAPEW-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110824094) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID110824094
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21BrN2O3S/c20-16-6-8-17(9-7-16)21-14-19(23)15-4-10-18(11-5-15)26(24,25)22-12-2-1-3-13-22/h4-11,21H,1-3,12-14H2
InChIKeyHEHCUBLNVPAPEW-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-(3-methylanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824087
2-(3-acetylanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824072
2-(3-chloro-4-methoxyanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824050
2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4806473
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 110824094) is 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is O=C(CNc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is HEHCUBLNVPAPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c20-16-6-8-17(9-7-16)21-14-19(23)15-4-10-18(11-5-15)26(24,25)22-12-2-1-3-13-22/h4-11,21H,1-3,12-14H2.
What are the key properties of 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 437.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).