N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide

C15H23NO4S — CID 3836231

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C15H23NO4S/c1-4-5-12-6-8-14(9-7-12)21(17,18)16-10-13-11-19-15(2,3)20-13/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKeyQIDFJKHGJHVPHN-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.07
Rot. Bonds6

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide (PubChem CID 3836231) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
PubChem CID3836231
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C15H23NO4S/c1-4-5-12-6-8-14(9-7-12)21(17,18)16-10-13-11-19-15(2,3)20-13/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKeyQIDFJKHGJHVPHN-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 103815248
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
CID 3261303
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 113267686
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 3317691
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methoxybenzenesulfonamide
CID 16800178
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
2-chloro-5-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonamide
CID 107389862
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-9,10-dioxoanthracene-1-sulfonamide
CID 74227907
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide (CID 3836231) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2COC(C)(C)O2)cc1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is QIDFJKHGJHVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-5-12-6-8-14(9-7-12)21(17,18)16-10-13-11-19-15(2,3)20-13/h6-9,13,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 3836231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).