N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide

C19H20F3NO3S — CID 142630604

IUPACN,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide
SMILESCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C19H20F3NO3S/c1-18(2)11-10-13-12-16(8-9-17(13)26-18)27(24,25)23(3)15-6-4-14(5-7-15)19(20,21)22/h4-9,12H,10-11H2,1-3H3
InChIKeyWKUCEGXFBNYGGX-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.63
Rot. Bonds3

About N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide

N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide (PubChem CID 142630604) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide
PubChem CID142630604
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC NameN,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide
SMILESCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C19H20F3NO3S/c1-18(2)11-10-13-12-16(8-9-17(13)26-18)27(24,25)23(3)15-6-4-14(5-7-15)19(20,21)22/h4-9,12H,10-11H2,1-3H3
InChIKeyWKUCEGXFBNYGGX-UHFFFAOYSA-N
XLogP4.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide (CID 142630604) is N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide is CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2.
What is the InChIKey of N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is WKUCEGXFBNYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-18(2)11-10-13-12-16(8-9-17(13)26-18)27(24,25)23(3)15-6-4-14(5-7-15)19(20,21)22/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide?
N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 399.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 142630604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).