N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide

C15H17F2N3O3S — CID 154836020

IUPACN-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H17F2N3O3S/c1-9-14(10(2)20(18-9)15(16)17)19-24(21,22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8,15,19H,3-4,7H2,1-2H3
InChIKeyGIJVWQZRIUQNSI-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide

N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 154836020) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID154836020
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC NameN-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H17F2N3O3S/c1-9-14(10(2)20(18-9)15(16)17)19-24(21,22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8,15,19H,3-4,7H2,1-2H3
InChIKeyGIJVWQZRIUQNSI-UHFFFAOYSA-N
XLogP3.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 55902007
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 136520086
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 154745833

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide (CID 154836020) is N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide is Cc1nn(C(F)F)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is GIJVWQZRIUQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-9-14(10(2)20(18-9)15(16)17)19-24(21,22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8,15,19H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide?
N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 357.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 154836020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).