N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide

C14H16N2O4S3 — CID 112505540

IUPACN-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccs1
InChIInChI=1S/C14H16N2O4S3/c17-22(18)10-2-1-8-16(22)13-6-3-5-12(11-13)15-23(19,20)14-7-4-9-21-14/h3-7,9,11,15H,1-2,8,10H2
InChIKeyKMVDEJBWGDEQRJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.48
Rot. Bonds4

About N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide

N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 112505540) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID112505540
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccs1
InChIInChI=1S/C14H16N2O4S3/c17-22(18)10-2-1-8-16(22)13-6-3-5-12(11-13)15-23(19,20)14-7-4-9-21-14/h3-7,9,11,15H,1-2,8,10H2
InChIKeyKMVDEJBWGDEQRJ-UHFFFAOYSA-N
XLogP2.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
CID 7483034
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-sulfonamide
CID 112505840
N-(3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 102430110
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
CID 110621354
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 112503000
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide (CID 112505540) is N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccs1.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is KMVDEJBWGDEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c17-22(18)10-2-1-8-16(22)13-6-3-5-12(11-13)15-23(19,20)14-7-4-9-21-14/h3-7,9,11,15H,1-2,8,10H2.
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112505540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).