N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide

C17H19NO3S — CID 110705600

IUPACN-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H19NO3S/c1-13-4-2-5-14(10-13)12-18-22(19,20)16-7-8-17-15(11-16)6-3-9-21-17/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3
InChIKeyFURBVHQZIKKBNO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.80
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide

N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 110705600) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID110705600
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H19NO3S/c1-13-4-2-5-14(10-13)12-18-22(19,20)16-7-8-17-15(11-16)6-3-9-21-17/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3
InChIKeyFURBVHQZIKKBNO-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide 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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 136520086
N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120720142

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide (CID 110705600) is N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is FURBVHQZIKKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-4-2-5-14(10-13)12-18-22(19,20)16-7-8-17-15(11-16)6-3-9-21-17/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 110705600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).