N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide

C17H18N2O4S — CID 9091692

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(N)(=O)=O
InChIInChI=1S/C17H18N2O4S/c1-11-6-7-12(10-16(11)24(18,21)22)17(20)19-14-8-9-23-15-5-3-2-4-13(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)(H2,18,21,22)/t14-/m1/s1
InChIKeyUOQIMNVFEFBNRR-CQSZACIVSA-N
MW346.41 g/mol
LogP1.90
Rot. Bonds3

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide (PubChem CID 9091692) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
PubChem CID9091692
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(N)(=O)=O
InChIInChI=1S/C17H18N2O4S/c1-11-6-7-12(10-16(11)24(18,21)22)17(20)19-14-8-9-23-15-5-3-2-4-13(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)(H2,18,21,22)/t14-/m1/s1
InChIKeyUOQIMNVFEFBNRR-CQSZACIVSA-N
XLogP1.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058773

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide (CID 9091692) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(N)(=O)=O.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide?
The InChIKey is UOQIMNVFEFBNRR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-6-7-12(10-16(11)24(18,21)22)17(20)19-14-8-9-23-15-5-3-2-4-13(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)(H2,18,21,22)/t14-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 9091692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).