N-(2-pyridin-4-ylethyl)butane-2-sulfonamide

C11H18N2O2S — CID 70596181

IUPACN-(2-pyridin-4-ylethyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C11H18N2O2S/c1-3-10(2)16(14,15)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyBKVDSDWJMFIJQD-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.34
Rot. Bonds6

About N-(2-pyridin-4-ylethyl)butane-2-sulfonamide

N-(2-pyridin-4-ylethyl)butane-2-sulfonamide (PubChem CID 70596181) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)butane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)butane-2-sulfonamide
PubChem CID70596181
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(2-pyridin-4-ylethyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C11H18N2O2S/c1-3-10(2)16(14,15)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyBKVDSDWJMFIJQD-UHFFFAOYSA-N
XLogP1.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
CID 54947129
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 4915934
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 107326770

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)butane-2-sulfonamide?
The IUPAC name of N-(2-pyridin-4-ylethyl)butane-2-sulfonamide (CID 70596181) is N-(2-pyridin-4-ylethyl)butane-2-sulfonamide.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)butane-2-sulfonamide?
The canonical SMILES for N-(2-pyridin-4-ylethyl)butane-2-sulfonamide is CCC(C)S(=O)(=O)NCCc1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)butane-2-sulfonamide?
The InChIKey is BKVDSDWJMFIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-10(2)16(14,15)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3.
What are the key properties of N-(2-pyridin-4-ylethyl)butane-2-sulfonamide?
N-(2-pyridin-4-ylethyl)butane-2-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)butane-2-sulfonamide is sourced from PubChem (CID 70596181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).