4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide

C18H21F2N3O2S — CID 126816463

IUPAC4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)cnc1N1CCCCC1
InChIInChI=1S/C18H21F2N3O2S/c1-13-11-15(12-21-18(13)23-9-3-2-4-10-23)22-26(24,25)16-7-5-14(6-8-16)17(19)20/h5-8,11-12,17,22H,2-4,9-10H2,1H3
InChIKeyXBQACTLHLRHHKI-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.12
Rot. Bonds5

About 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide

4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 126816463) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID126816463
Molecular FormulaC18H21F2N3O2S
Molecular Weight381.45 g/mol
Exact Mass381.13
IUPAC Name4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)cnc1N1CCCCC1
InChIInChI=1S/C18H21F2N3O2S/c1-13-11-15(12-21-18(13)23-9-3-2-4-10-23)22-26(24,25)16-7-5-14(6-8-16)17(19)20/h5-8,11-12,17,22H,2-4,9-10H2,1H3
InChIKeyXBQACTLHLRHHKI-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)thiophene-3-sulfonamide
CID 126802053
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054535
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
2-(azocan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054691
2-(azocan-1-yl)-5-[(4-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024789
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 53108329
5-[(4-acetylphenyl)sulfonylamino]-2-(azepan-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154578406
2-pyrrolidin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004779
5-[(3,4-dimethylphenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53024764
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide (CID 126816463) is 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)cnc1N1CCCCC1.
What is the InChIKey of 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is XBQACTLHLRHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c1-13-11-15(12-21-18(13)23-9-3-2-4-10-23)22-26(24,25)16-7-5-14(6-8-16)17(19)20/h5-8,11-12,17,22H,2-4,9-10H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide?
4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 126816463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).