4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide

C20H27FN4O2S — CID 174591421

IUPAC4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide
SMILESCc1nc(N2CCN[C@H](C)C2)ccc1NS(=O)(=O)c1ccc(C(C)CF)cc1
InChIInChI=1S/C20H27FN4O2S/c1-14(12-21)17-4-6-18(7-5-17)28(26,27)24-19-8-9-20(23-16(19)3)25-11-10-22-15(2)13-25/h4-9,14-15,22,24H,10-13H2,1-3H3/t14?,15-/m1/s1
InChIKeyKBAXDLPENRZPNR-YSSOQSIOSA-N
MW406.53 g/mol
LogP3.06
Rot. Bonds6

About 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide

4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 174591421) has the molecular formula C20H27FN4O2S and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID174591421
Molecular FormulaC20H27FN4O2S
Molecular Weight406.53 g/mol
Exact Mass406.18
IUPAC Name4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide
SMILESCc1nc(N2CCN[C@H](C)C2)ccc1NS(=O)(=O)c1ccc(C(C)CF)cc1
InChIInChI=1S/C20H27FN4O2S/c1-14(12-21)17-4-6-18(7-5-17)28(26,27)24-19-8-9-20(23-16(19)3)25-11-10-22-15(2)13-25/h4-9,14-15,22,24H,10-13H2,1-3H3/t14?,15-/m1/s1
InChIKeyKBAXDLPENRZPNR-YSSOQSIOSA-N
XLogP3.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

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
(2S)-4-[5-[[4-[(2R)-1-fluoropropan-2-yl]phenyl]sulfonylamino]-6-methyl-2-pyridinyl]-2-methylpiperazine-1-carboxylic acid
CID 70645053
N-(5-bromo-2-methyl-6-piperazin-1-yl-3-pyridinyl)-4-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
CID 67373780
2-methyl-6-(3-methylpiperazin-1-yl)pyridin-3-amine
CID 174591427
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466120
(3R)-1-[5-(2-methoxyethoxy)-6-methyl-2-pyridinyl]-3-methylpiperazine
CID 70274958
N-[2-(difluoromethoxy)-5-methylphenyl]-4-methyl-3-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 56650021
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide (CID 174591421) is 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide is Cc1nc(N2CCN[C@H](C)C2)ccc1NS(=O)(=O)c1ccc(C(C)CF)cc1.
What is the InChIKey of 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is KBAXDLPENRZPNR-YSSOQSIOSA-N. The full InChI is InChI=1S/C20H27FN4O2S/c1-14(12-21)17-4-6-18(7-5-17)28(26,27)24-19-8-9-20(23-16(19)3)25-11-10-22-15(2)13-25/h4-9,14-15,22,24H,10-13H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoropropan-2-yl)-N-[2-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 174591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).