N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide

C18H16F3NO3S — CID 71490904

IUPACN-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C18H16F3NO3S/c19-18(20,21)17(23)14-8-10-15(11-9-14)22(12-13-6-7-13)26(24,25)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2
InChIKeyWJDHPZFBCIBTLS-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.04
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide

N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide (PubChem CID 71490904) has the molecular formula C18H16F3NO3S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
PubChem CID71490904
Molecular FormulaC18H16F3NO3S
Molecular Weight383.39 g/mol
Exact Mass383.08
IUPAC NameN-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C18H16F3NO3S/c19-18(20,21)17(23)14-8-10-15(11-9-14)22(12-13-6-7-13)26(24,25)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2
InChIKeyWJDHPZFBCIBTLS-UHFFFAOYSA-N
XLogP4.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide (CID 71490904) is N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide is O=C(c1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The InChIKey is WJDHPZFBCIBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3S/c19-18(20,21)17(23)14-8-10-15(11-9-14)22(12-13-6-7-13)26(24,25)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2.
What are the key properties of N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide has a molecular weight of 383.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71490904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).