N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C20H27N3O2S — CID 113030849

IUPACN-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC1CCCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)nc2)C1
InChIInChI=1S/C20H27N3O2S/c1-15(2)17-6-9-19(10-7-17)26(24,25)22-20-11-8-18(13-21-20)23-12-4-5-16(3)14-23/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,21,22)
InChIKeyKWKOYZVNUJXMLZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.24
Rot. Bonds5

About N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113030849) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113030849
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC1CCCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)nc2)C1
InChIInChI=1S/C20H27N3O2S/c1-15(2)17-6-9-19(10-7-17)26(24,25)22-20-11-8-18(13-21-20)23-12-4-5-16(3)14-23/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,21,22)
InChIKeyKWKOYZVNUJXMLZ-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030864
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024414
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113015711
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113024917

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113030849) is N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is CC1CCCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)nc2)C1.
What is the InChIKey of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is KWKOYZVNUJXMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(2)17-6-9-19(10-7-17)26(24,25)22-20-11-8-18(13-21-20)23-12-4-5-16(3)14-23/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113030849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).