N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide

C18H20ClN3O3S2 — CID 50842686

IUPACN-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)cc1Cl
InChIInChI=1S/C18H20ClN3O3S2/c1-9-10(2)20-21-17(9)16-11(3)26-12(4)18(16)27(23,24)22-13-6-7-15(25-5)14(19)8-13/h6-8,22H,1-5H3,(H,20,21)
InChIKeyANCHPKTXXBPVMS-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.83
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide

N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 50842686) has the molecular formula C18H20ClN3O3S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID50842686
Molecular FormulaC18H20ClN3O3S2
Molecular Weight425.96 g/mol
Exact Mass425.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)cc1Cl
InChIInChI=1S/C18H20ClN3O3S2/c1-9-10(2)20-21-17(9)16-11(3)26-12(4)18(16)27(23,24)22-13-6-7-15(25-5)14(19)8-13/h6-8,22H,1-5H3,(H,20,21)
InChIKeyANCHPKTXXBPVMS-UHFFFAOYSA-N
XLogP4.83
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839615
N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879659
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53138881
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 38943082
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947584
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3,4,5-trimethoxyphenyl)furan-2-sulfonamide
CID 50784621

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 50842686) is N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is ANCHPKTXXBPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S2/c1-9-10(2)20-21-17(9)16-11(3)26-12(4)18(16)27(23,24)22-13-6-7-15(25-5)14(19)8-13/h6-8,22H,1-5H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 425.96 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 50842686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).