N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide

C15H22N2O4S — CID 598642

IUPACN,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCCN2CCOC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-13-5-7-14(8-6-13)22(19,20)16(2)9-3-4-10-17-11-12-21-15(17)18/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDGUGJHIGLCYPKX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.85
Rot. Bonds7

About N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide

N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide (PubChem CID 598642) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide
PubChem CID598642
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCCN2CCOC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-13-5-7-14(8-6-13)22(19,20)16(2)9-3-4-10-17-11-12-21-15(17)18/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDGUGJHIGLCYPKX-UHFFFAOYSA-N
XLogP1.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tolpyrramide
CID 267368
Ethyl 3-[(4-methylphenyl)sulfonyl]imidazolidine-1-carboxylate
CID 683426
Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylate
CID 720863
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2497263
N1-methyl-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 18561534
N,4-dimethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide
CID 770953
[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 645069
{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 3241896
3-{1-[(4-Methylphenyl)sulfonyl]propyl}-1,3-oxazolan-2-one
CID 3636890
7-(4-methylphenyl)sulfonyl-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazin-5-one
CID 44144303
Ethyl 7-methylene-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane-1-carboxylate
CID 466370
Propyl 7-methylene-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane-1-carboxylate
CID 503878

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide (CID 598642) is N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCCCN2CCOC2=O)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide?
The InChIKey is DGUGJHIGLCYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-13-5-7-14(8-6-13)22(19,20)16(2)9-3-4-10-17-11-12-21-15(17)18/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide?
N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 598642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).