4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H21BrN2O4S — CID 1127122

IUPAC4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C19H21BrN2O4S/c1-26-16-8-6-15(7-9-16)21-19(23)14-5-10-17(20)18(13-14)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyMYIQWTRGCBPYRM-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.88
Rot. Bonds5

About 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1127122) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1127122
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C19H21BrN2O4S/c1-26-16-8-6-15(7-9-16)21-19(23)14-5-10-17(20)18(13-14)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyMYIQWTRGCBPYRM-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
3-[(4-bromo-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 5128837
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1127122) is 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MYIQWTRGCBPYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-16-8-6-15(7-9-16)21-19(23)14-5-10-17(20)18(13-14)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 453.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1127122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).