5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide

C18H20ClN3O2S2 — CID 11384302

IUPAC5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
SMILESCc1cccc(-n2nccc2C(NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1
InChIInChI=1S/C18H20ClN3O2S2/c1-12(2)18(21-26(23,24)17-8-7-16(19)25-17)15-9-10-20-22(15)14-6-4-5-13(3)11-14/h4-12,18,21H,1-3H3
InChIKeyLANYDHHNXHMKRT-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.57
Rot. Bonds6

About 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide

5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide (PubChem CID 11384302) has the molecular formula C18H20ClN3O2S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
PubChem CID11384302
Molecular FormulaC18H20ClN3O2S2
Molecular Weight409.96 g/mol
Exact Mass409.07
IUPAC Name5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
SMILESCc1cccc(-n2nccc2C(NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1
InChIInChI=1S/C18H20ClN3O2S2/c1-12(2)18(21-26(23,24)17-8-7-16(19)25-17)15-9-10-20-22(15)14-6-4-5-13(3)11-14/h4-12,18,21H,1-3H3
InChIKeyLANYDHHNXHMKRT-UHFFFAOYSA-N
XLogP4.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide (CID 11384302) is 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide is Cc1cccc(-n2nccc2C(NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1.
What is the InChIKey of 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide?
The InChIKey is LANYDHHNXHMKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S2/c1-12(2)18(21-26(23,24)17-8-7-16(19)25-17)15-9-10-20-22(15)14-6-4-5-13(3)11-14/h4-12,18,21H,1-3H3.
What are the key properties of 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide?
5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide has a molecular weight of 409.96 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11384302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).