4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C18H22N2O5S2 — CID 7517156

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S2/c1-25-18-7-3-2-6-15(18)14-19-27(23,24)17-10-8-16(9-11-17)20-12-4-5-13-26(20,21)22/h2-3,6-11,19H,4-5,12-14H2,1H3
InChIKeyXNXMVTXYLPBHAV-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.10
Rot. Bonds6

About 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 7517156) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID7517156
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S2/c1-25-18-7-3-2-6-15(18)14-19-27(23,24)17-10-8-16(9-11-17)20-12-4-5-13-26(20,21)22/h2-3,6-11,19H,4-5,12-14H2,1H3
InChIKeyXNXMVTXYLPBHAV-UHFFFAOYSA-N
XLogP2.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
CID 10363809
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
4-Methoxy-N-[4-(piperidine-1-sulfonyl)-phenyl]-benzenesulfonamide
CID 652426
N-(2-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585910
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-4-methyl-benzenesulfonamide
CID 11327137
4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635027
4-Methoxy-N-{3-[4-(p-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635028
4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-piperazin-1-yl]-1-methyl-propyl}-benzenesulfonamide
CID 42635388
N-(4-cyanophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 118526849
N-(3-cyanophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 118526984
N-(2-cyanophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 118526998

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 7517156) is 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is XNXMVTXYLPBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-25-18-7-3-2-6-15(18)14-19-27(23,24)17-10-8-16(9-11-17)20-12-4-5-13-26(20,21)22/h2-3,6-11,19H,4-5,12-14H2,1H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 7517156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).