5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide

C17H18N2O4S — CID 34042955

IUPAC5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1C(N)=O
InChIInChI=1S/C17H18N2O4S/c1-11-6-7-12(10-14(11)17(18)20)24(21,22)19-15-8-9-23-16-5-3-2-4-13(15)16/h2-7,10,15,19H,8-9H2,1H3,(H2,18,20)/t15-/m1/s1
InChIKeyRKOGZIZBCQBBQU-OAHLLOKOSA-N
MW346.41 g/mol
LogP1.90
Rot. Bonds4

About 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide

5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide (PubChem CID 34042955) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
PubChem CID34042955
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1C(N)=O
InChIInChI=1S/C17H18N2O4S/c1-11-6-7-12(10-14(11)17(18)20)24(21,22)19-15-8-9-23-16-5-3-2-4-13(15)16/h2-7,10,15,19H,8-9H2,1H3,(H2,18,20)/t15-/m1/s1
InChIKeyRKOGZIZBCQBBQU-OAHLLOKOSA-N
XLogP1.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
CID 31284339
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
CID 66186326
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 33346649
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692

Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide (CID 34042955) is 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1C(N)=O.
What is the InChIKey of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide?
The InChIKey is RKOGZIZBCQBBQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-6-7-12(10-14(11)17(18)20)24(21,22)19-15-8-9-23-16-5-3-2-4-13(15)16/h2-7,10,15,19H,8-9H2,1H3,(H2,18,20)/t15-/m1/s1.
What are the key properties of 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide?
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 34042955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).