N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C18H18N2O5S — CID 97126102

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1COc2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)cc2N1
InChIInChI=1S/C18H18N2O5S/c21-18-11-25-17-6-5-14(8-15(17)20-18)26(22,23)19-9-12-7-13-3-1-2-4-16(13)24-10-12/h1-6,8,12,19H,7,9-11H2,(H,20,21)/t12-/m1/s1
InChIKeyUNIFRURTXKIWGZ-GFCCVEGCSA-N
MW374.42 g/mol
LogP1.55
Rot. Bonds4

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 97126102) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID97126102
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1COc2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)cc2N1
InChIInChI=1S/C18H18N2O5S/c21-18-11-25-17-6-5-14(8-15(17)20-18)26(22,23)19-9-12-7-13-3-1-2-4-16(13)24-10-12/h1-6,8,12,19H,7,9-11H2,(H,20,21)/t12-/m1/s1
InChIKeyUNIFRURTXKIWGZ-GFCCVEGCSA-N
XLogP1.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
3-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzene-1,3-disulfonamide
CID 55512090
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 137340416
N-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43605776
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
N-[3-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43606655

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 97126102) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is O=C1COc2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)cc2N1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is UNIFRURTXKIWGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-18-11-25-17-6-5-14(8-15(17)20-18)26(22,23)19-9-12-7-13-3-1-2-4-16(13)24-10-12/h1-6,8,12,19H,7,9-11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 97126102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).