4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide

C19H24N2O4S2 — CID 7517058

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S2/c1-3-20(18-8-6-7-16(2)15-18)27(24,25)19-11-9-17(10-12-19)21-13-4-5-14-26(21,22)23/h6-12,15H,3-5,13-14H2,1-2H3
InChIKeyLDFIOEGNLPJHTL-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.14
Rot. Bonds5

About 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 7517058) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID7517058
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S2/c1-3-20(18-8-6-7-16(2)15-18)27(24,25)19-11-9-17(10-12-19)21-13-4-5-14-26(21,22)23/h6-12,15H,3-5,13-14H2,1-2H3
InChIKeyLDFIOEGNLPJHTL-UHFFFAOYSA-N
XLogP3.14
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulthiame
CID 5356
4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
4-((4-Benzylpiperidin-1-yl)sulfonyl)aniline
CID 2115228
1-[(2,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 775783
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
Indoline, 1-methylsulfonyl-5-(1-piperidylsulfonyl)-
CID 608636
1-[(4-Fluoro-3-methylphenyl)sulfonyl]-4-(2-methylphenyl)piperazine
CID 1259136

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide (CID 7517058) is 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is LDFIOEGNLPJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-3-20(18-8-6-7-16(2)15-18)27(24,25)19-11-9-17(10-12-19)21-13-4-5-14-26(21,22)23/h6-12,15H,3-5,13-14H2,1-2H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 7517058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).