4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

C17H22N2O2S — CID 110400290

IUPAC4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCCc2cccnc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-14(2)16-7-9-17(10-8-16)22(20,21)19-12-4-6-15-5-3-11-18-13-15/h3,5,7-11,13-14,19H,4,6,12H2,1-2H3
InChIKeyZUTRHDUQBHPRTR-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.12
Rot. Bonds7

About 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (PubChem CID 110400290) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
PubChem CID110400290
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCCc2cccnc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-14(2)16-7-9-17(10-8-16)22(20,21)19-12-4-6-15-5-3-11-18-13-15/h3,5,7-11,13-14,19H,4,6,12H2,1-2H3
InChIKeyZUTRHDUQBHPRTR-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
CID 110607154
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
N-(5-formyl-8-pyridin-3-yloctyl)-4-methylsulfonylbenzenesulfonamide
CID 10343862
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
CID 10319970
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]sulfanylacetic acid
CID 11754506
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (CID 110400290) is 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCCc2cccnc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The InChIKey is ZUTRHDUQBHPRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14(2)16-7-9-17(10-8-16)22(20,21)19-12-4-6-15-5-3-11-18-13-15/h3,5,7-11,13-14,19H,4,6,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110400290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).