N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H21F2N3O2S — CID 41023615

IUPACN-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H21F2N3O2S/c1-13(19-23-17-8-4-5-9-18(17)25(19)20(21)22)24-28(26,27)16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-13,20,24H,2-3,6-7H2,1H3/t13-/m0/s1
InChIKeyPRFQKJXKGVKSEX-ZDUSSCGKSA-N
MW405.47 g/mol
LogP4.35
Rot. Bonds5

About N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 41023615) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID41023615
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC NameN-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H21F2N3O2S/c1-13(19-23-17-8-4-5-9-18(17)25(19)20(21)22)24-28(26,27)16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-13,20,24H,2-3,6-7H2,1H3/t13-/m0/s1
InChIKeyPRFQKJXKGVKSEX-ZDUSSCGKSA-N
XLogP4.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 41022522
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 47022484
2-bromo-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 25330658
2-bromo-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 25330657
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
methyl 3-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]sulfamoyl]-4-methylbenzoate
CID 25330309
3-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 25358247
N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 138046849
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 55491816
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 41023615) is N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is PRFQKJXKGVKSEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-13(19-23-17-8-4-5-9-18(17)25(19)20(21)22)24-28(26,27)16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-13,20,24H,2-3,6-7H2,1H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 405.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 41023615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).