N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide

C19H20BrN3O4S — CID 55837158

IUPACN-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)Nc1ccccc1
InChIInChI=1S/C19H20BrN3O4S/c20-17-9-8-15(28(26,27)23-10-4-5-11-23)12-16(17)19(25)21-13-18(24)22-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,25)(H,22,24)
InChIKeyDWXWHKPZDCOQBT-UHFFFAOYSA-N
MW466.36 g/mol
LogP2.60
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide

N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55837158) has the molecular formula C19H20BrN3O4S and a molecular weight of 466.36 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55837158
Molecular FormulaC19H20BrN3O4S
Molecular Weight466.36 g/mol
Exact Mass465.04
IUPAC NameN-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)Nc1ccccc1
InChIInChI=1S/C19H20BrN3O4S/c20-17-9-8-15(28(26,27)23-10-4-5-11-23)12-16(17)19(25)21-13-18(24)22-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,25)(H,22,24)
InChIKeyDWXWHKPZDCOQBT-UHFFFAOYSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 9442255
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
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2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-bromo-N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 39709170
2-bromo-N-(3-methylbutyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26253332
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
N-(2-anilino-2-oxoethyl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46415089
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55837158) is N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DWXWHKPZDCOQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4S/c20-17-9-8-15(28(26,27)23-10-4-5-11-23)12-16(17)19(25)21-13-18(24)22-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,25)(H,22,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 466.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55837158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).