N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

C16H26N2O5S2 — CID 46307101

IUPACN-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC(C)CC
InChIInChI=1S/C16H26N2O5S2/c1-4-13(3)17-25(21,22)16-12-14(8-9-15(16)23-5-2)18-10-6-7-11-24(18,19)20/h8-9,12-13,17H,4-7,10-11H2,1-3H3
InChIKeyGTJAKDFXOIURFO-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.09
Rot. Bonds7

About N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (PubChem CID 46307101) has the molecular formula C16H26N2O5S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
PubChem CID46307101
Molecular FormulaC16H26N2O5S2
Molecular Weight390.53 g/mol
Exact Mass390.13
IUPAC NameN-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC(C)CC
InChIInChI=1S/C16H26N2O5S2/c1-4-13(3)17-25(21,22)16-12-14(8-9-15(16)23-5-2)18-10-6-7-11-24(18,19)20/h8-9,12-13,17H,4-7,10-11H2,1-3H3
InChIKeyGTJAKDFXOIURFO-UHFFFAOYSA-N
XLogP2.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776404
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 39776497
N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776514
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 39776407
N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776506
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 39776409
N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005759
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propane-2-sulfonamide
CID 7635616
N-tert-butyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005669
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The IUPAC name of N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (CID 46307101) is N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The InChIKey is GTJAKDFXOIURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S2/c1-4-13(3)17-25(21,22)16-12-14(8-9-15(16)23-5-2)18-10-6-7-11-24(18,19)20/h8-9,12-13,17H,4-7,10-11H2,1-3H3.
What are the key properties of N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide has a molecular weight of 390.53 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 46307101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).