N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide

C13H17NO5S2 — CID 136561857

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide
SMILESO=S1(=O)CC(CS(=O)(=O)NC2COc3ccccc3C2)C1
InChIInChI=1S/C13H17NO5S2/c15-20(16)7-10(8-20)9-21(17,18)14-12-5-11-3-1-2-4-13(11)19-6-12/h1-4,10,12,14H,5-9H2
InChIKeyWFZXRSGBCOUWKM-UHFFFAOYSA-N
MW331.42 g/mol
LogP-0.05
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide

N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide (PubChem CID 136561857) has the molecular formula C13H17NO5S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide
PubChem CID136561857
Molecular FormulaC13H17NO5S2
Molecular Weight331.42 g/mol
Exact Mass331.05
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide
SMILESO=S1(=O)CC(CS(=O)(=O)NC2COc3ccccc3C2)C1
InChIInChI=1S/C13H17NO5S2/c15-20(16)7-10(8-20)9-21(17,18)14-12-5-11-3-1-2-4-13(11)19-6-12/h1-4,10,12,14H,5-9H2
InChIKeyWFZXRSGBCOUWKM-UHFFFAOYSA-N
XLogP-0.05
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
CID 110751566
N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110751562
1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
CID 110751563
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide (CID 136561857) is N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide is O=S1(=O)CC(CS(=O)(=O)NC2COc3ccccc3C2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide?
The InChIKey is WFZXRSGBCOUWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S2/c15-20(16)7-10(8-20)9-21(17,18)14-12-5-11-3-1-2-4-13(11)19-6-12/h1-4,10,12,14H,5-9H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide?
N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide has a molecular weight of 331.42 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide is sourced from PubChem (CID 136561857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).