N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide

C19H24BrFN4O2S — CID 67373780

IUPACN-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
SMILESCc1nc(N2CCNCC2)c(Br)cc1NS(=O)(=O)c1ccc([C@H](C)CF)cc1
InChIInChI=1S/C19H24BrFN4O2S/c1-13(12-21)15-3-5-16(6-4-15)28(26,27)24-18-11-17(20)19(23-14(18)2)25-9-7-22-8-10-25/h3-6,11,13,22,24H,7-10,12H2,1-2H3/t13-/m1/s1
InChIKeyCXHBWOIMXTXDHG-CYBMUJFWSA-N
MW471.40 g/mol
LogP3.44
Rot. Bonds6

About N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide

N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide (PubChem CID 67373780) has the molecular formula C19H24BrFN4O2S and a molecular weight of 471.40 g/mol. Its IUPAC name is N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
PubChem CID67373780
Molecular FormulaC19H24BrFN4O2S
Molecular Weight471.40 g/mol
Exact Mass470.08
IUPAC NameN-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
SMILESCc1nc(N2CCNCC2)c(Br)cc1NS(=O)(=O)c1ccc([C@H](C)CF)cc1
InChIInChI=1S/C19H24BrFN4O2S/c1-13(12-21)15-3-5-16(6-4-15)28(26,27)24-18-11-17(20)19(23-14(18)2)25-9-7-22-8-10-25/h3-6,11,13,22,24H,7-10,12H2,1-2H3/t13-/m1/s1
InChIKeyCXHBWOIMXTXDHG-CYBMUJFWSA-N
XLogP3.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 174591421
(2S)-4-[5-[[4-[(2R)-1-fluoropropan-2-yl]phenyl]sulfonylamino]-6-methyl-2-pyridinyl]-2-methylpiperazine-1-carboxylic acid
CID 70645053
N-[2-methyl-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridinyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 87553387
N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 53108329
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
CID 22773581
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828246
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260
4-bromo-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
CID 141059713
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide (CID 67373780) is N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide is Cc1nc(N2CCNCC2)c(Br)cc1NS(=O)(=O)c1ccc([C@H](C)CF)cc1.
What is the InChIKey of N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
The InChIKey is CXHBWOIMXTXDHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24BrFN4O2S/c1-13(12-21)15-3-5-16(6-4-15)28(26,27)24-18-11-17(20)19(23-14(18)2)25-9-7-22-8-10-25/h3-6,11,13,22,24H,7-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide has a molecular weight of 471.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67373780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).