N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

C15H15N3O3S2 — CID 53130905

IUPACN-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccn[nH]2)cs1
InChIInChI=1S/C15H15N3O3S2/c1-10-3-4-14(21-2)13(7-10)18-23(19,20)15-8-11(9-22-15)12-5-6-16-17-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyZKLSINKNTYMTFD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.26
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53130905) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID53130905
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccn[nH]2)cs1
InChIInChI=1S/C15H15N3O3S2/c1-10-3-4-14(21-2)13(7-10)18-23(19,20)15-8-11(9-22-15)12-5-6-16-17-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyZKLSINKNTYMTFD-UHFFFAOYSA-N
XLogP3.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163434
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(5-chloro-2-methoxyphenyl)-4-(2-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53130934
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51115488
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 53130905) is N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccn[nH]2)cs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is ZKLSINKNTYMTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-10-3-4-14(21-2)13(7-10)18-23(19,20)15-8-11(9-22-15)12-5-6-16-17-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53130905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).