4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide

C12H16N4O3S — CID 95857382

IUPAC4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)n2cncn2)cc1
InChIInChI=1S/C12H16N4O3S/c1-10(16-9-13-8-14-16)7-15-20(17,18)12-5-3-11(19-2)4-6-12/h3-6,8-10,15H,7H2,1-2H3/t10-/m0/s1
InChIKeyAKAXVAVMYYGEQE-JTQLQIEISA-N
MW296.35 g/mol
LogP0.83
Rot. Bonds6

About 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide

4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide (PubChem CID 95857382) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide
PubChem CID95857382
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)n2cncn2)cc1
InChIInChI=1S/C12H16N4O3S/c1-10(16-9-13-8-14-16)7-15-20(17,18)12-5-3-11(19-2)4-6-12/h3-6,8-10,15H,7H2,1-2H3/t10-/m0/s1
InChIKeyAKAXVAVMYYGEQE-JTQLQIEISA-N
XLogP0.83
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683360
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide (CID 95857382) is 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](C)n2cncn2)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is AKAXVAVMYYGEQE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-10(16-9-13-8-14-16)7-15-20(17,18)12-5-3-11(19-2)4-6-12/h3-6,8-10,15H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 95857382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).