N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide

C12H17NO3S — CID 53006074

IUPACN-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1COc2ccccc2C1
InChIInChI=1S/C12H17NO3S/c1-2-7-17(14,15)13-11-8-10-5-3-4-6-12(10)16-9-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyVMGPEVOYILQEEM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.32
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide

N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide (PubChem CID 53006074) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
PubChem CID53006074
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1COc2ccccc2C1
InChIInChI=1S/C12H17NO3S/c1-2-7-17(14,15)13-11-8-10-5-3-4-6-12(10)16-9-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyVMGPEVOYILQEEM-UHFFFAOYSA-N
XLogP1.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
CID 110751566
N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide
CID 136561857
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-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 126985805
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
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-[(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)propane-1-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide (CID 53006074) is N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide?
The InChIKey is VMGPEVOYILQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-7-17(14,15)13-11-8-10-5-3-4-6-12(10)16-9-11/h3-6,11,13H,2,7-9H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide?
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 53006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).