N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide

C12H15N3O3S — CID 102691931

IUPACN-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C12H15N3O3S/c1-9(10-4-3-5-11(8-10)18-2)15-19(16,17)12-6-7-13-14-12/h3-9,15H,1-2H3,(H,13,14)
InChIKeyIJEZDPJJCBKBSQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.46
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide

N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691931) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691931
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C12H15N3O3S/c1-9(10-4-3-5-11(8-10)18-2)15-19(16,17)12-6-7-13-14-12/h3-9,15H,1-2H3,(H,13,14)
InChIKeyIJEZDPJJCBKBSQ-UHFFFAOYSA-N
XLogP1.46
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide (CID 102691931) is N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide is COc1cccc(C(C)NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is IJEZDPJJCBKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(10-4-3-5-11(8-10)18-2)15-19(16,17)12-6-7-13-14-12/h3-9,15H,1-2H3,(H,13,14).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).