N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

C17H18ClN3O2S2 — CID 53131046

IUPACN-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2S2/c1-2-9-21-16(7-8-19-21)14-10-17(24-12-14)25(22,23)20-11-13-3-5-15(18)6-4-13/h3-8,10,12,20H,2,9,11H2,1H3
InChIKeyZCGSXUDYHHCUGU-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.15
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53131046) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID53131046
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2S2/c1-2-9-21-16(7-8-19-21)14-10-17(24-12-14)25(22,23)20-11-13-3-5-15(18)6-4-13/h3-8,10,12,20H,2,9,11H2,1H3
InChIKeyZCGSXUDYHHCUGU-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131067
N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131082
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 53126834
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135094
N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53130952
N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 50839245
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (CID 53131046) is N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is CCCn1nccc1-c1csc(S(=O)(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is ZCGSXUDYHHCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S2/c1-2-9-21-16(7-8-19-21)14-10-17(24-12-14)25(22,23)20-11-13-3-5-15(18)6-4-13/h3-8,10,12,20H,2,9,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 395.94 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53131046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).