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

C16H17NO3S — CID 110705643

IUPACN-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C16H17NO3S/c1-12-4-6-14(7-5-12)17-21(18,19)15-8-9-16-13(11-15)3-2-10-20-16/h4-9,11,17H,2-3,10H2,1H3
InChIKeyQAIRGJVHIUJZIO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.12
Rot. Bonds3

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

N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 110705643) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID110705643
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C16H17NO3S/c1-12-4-6-14(7-5-12)17-21(18,19)15-8-9-16-13(11-15)3-2-10-20-16/h4-9,11,17H,2-3,10H2,1H3
InChIKeyQAIRGJVHIUJZIO-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 154836020

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide (CID 110705643) is N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is QAIRGJVHIUJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-4-6-14(7-5-12)17-21(18,19)15-8-9-16-13(11-15)3-2-10-20-16/h4-9,11,17H,2-3,10H2,1H3.
What are the key properties of N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 110705643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).