N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H19BrClFN2O3S — CID 60575271

IUPACN-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C19H19BrClFN2O3S/c1-23(17-8-6-14(20)12-15(17)21)19(25)13-5-7-16(22)18(11-13)28(26,27)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyRLVOBSLQNMJGPA-UHFFFAOYSA-N
MW489.79 g/mol
LogP4.69
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 60575271) has the molecular formula C19H19BrClFN2O3S and a molecular weight of 489.79 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID60575271
Molecular FormulaC19H19BrClFN2O3S
Molecular Weight489.79 g/mol
Exact Mass488.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C19H19BrClFN2O3S/c1-23(17-8-6-14(20)12-15(17)21)19(25)13-5-7-16(22)18(11-13)28(26,27)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyRLVOBSLQNMJGPA-UHFFFAOYSA-N
XLogP4.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.79
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46598939
4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55886733
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55669763
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
N-(4-bromo-2-methylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46450377
4-fluoro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2380936
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36999832
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26619396
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55624988
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 60585979

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 60575271) is N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide is CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RLVOBSLQNMJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O3S/c1-23(17-8-6-14(20)12-15(17)21)19(25)13-5-7-16(22)18(11-13)28(26,27)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 489.79 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 60575271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).