N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C9H13F6NO4S2 — CID 134244006

IUPACN-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(N(CC1CCCCC1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO4S2/c10-8(11,12)21(17,18)16(22(19,20)9(13,14)15)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyRVVFJUNFQWTFKM-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.57
Rot. Bonds4

About N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134244006) has the molecular formula C9H13F6NO4S2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134244006
Molecular FormulaC9H13F6NO4S2
Molecular Weight377.33 g/mol
Exact Mass377.02
IUPAC NameN-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(N(CC1CCCCC1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO4S2/c10-8(11,12)21(17,18)16(22(19,20)9(13,14)15)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyRVVFJUNFQWTFKM-UHFFFAOYSA-N
XLogP2.57
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134244006) is N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is O=S(=O)(N(CC1CCCCC1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is RVVFJUNFQWTFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO4S2/c10-8(11,12)21(17,18)16(22(19,20)9(13,14)15)6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 377.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134244006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).