N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide

C18H22N2O4S2 — CID 112505484

IUPACN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)c1
InChIInChI=1S/C18H22N2O4S2/c1-14-6-5-7-17(12-14)26(23,24)19-16-8-9-18(15(2)13-16)20-10-3-4-11-25(20,21)22/h5-9,12-13,19H,3-4,10-11H2,1-2H3
InChIKeyPWRVVPNKXLOFOW-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.03
Rot. Bonds4

About N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide

N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide (PubChem CID 112505484) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
PubChem CID112505484
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)c1
InChIInChI=1S/C18H22N2O4S2/c1-14-6-5-7-17(12-14)26(23,24)19-16-8-9-18(15(2)13-16)20-10-3-4-11-25(20,21)22/h5-9,12-13,19H,3-4,10-11H2,1-2H3
InChIKeyPWRVVPNKXLOFOW-UHFFFAOYSA-N
XLogP3.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-4-fluorobenzenesulfonamide
CID 112505593
4-(1,1-dioxothiazinan-2-yl)-2,5-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 39776373
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide
CID 110303684
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112505838
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 39776296
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide (CID 112505484) is N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)c(C)c2)c1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide?
The InChIKey is PWRVVPNKXLOFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-14-6-5-7-17(12-14)26(23,24)19-16-8-9-18(15(2)13-16)20-10-3-4-11-25(20,21)22/h5-9,12-13,19H,3-4,10-11H2,1-2H3.
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide?
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 112505484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).