N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide

C20H18N4O2S — CID 8814679

IUPACN-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H18N4O2S/c1-15(16-6-9-19(10-7-16)24-14-21-13-22-24)23-27(25,26)20-11-8-17-4-2-3-5-18(17)12-20/h2-15,23H,1H3/t15-/m0/s1
InChIKeyLGCONTXGEMCWGD-HNNXBMFYSA-N
MW378.46 g/mol
LogP3.46
Rot. Bonds5

About N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide

N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide (PubChem CID 8814679) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide
PubChem CID8814679
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H18N4O2S/c1-15(16-6-9-19(10-7-16)24-14-21-13-22-24)23-27(25,26)20-11-8-17-4-2-3-5-18(17)12-20/h2-15,23H,1H3/t15-/m0/s1
InChIKeyLGCONTXGEMCWGD-HNNXBMFYSA-N
XLogP3.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814747
4-ethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815254
4-cyano-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200672
4-fluoro-3-nitro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815210
4-chloro-3-cyano-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 55729211
2,3,4,5,6-pentamethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815199
2,6-difluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815109
2,3,4-trifluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 84843192
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
2,5-dichloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814858
4-(methylsulfamoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51221629
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 16574207

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide (CID 8814679) is N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is LGCONTXGEMCWGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-15(16-6-9-19(10-7-16)24-14-21-13-22-24)23-27(25,26)20-11-8-17-4-2-3-5-18(17)12-20/h2-15,23H,1H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide?
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 8814679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).