N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

C14H11Cl2N3O2S2 — CID 22203670

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cccs1
InChIInChI=1S/C14H11Cl2N3O2S2/c15-12-4-3-10(6-13(12)16)8-19-9-11(7-17-19)18-23(20,21)14-2-1-5-22-14/h1-7,9,18H,8H2
InChIKeyBOXUZOKWSFIWMD-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.10
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 22203670) has the molecular formula C14H11Cl2N3O2S2 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID22203670
Molecular FormulaC14H11Cl2N3O2S2
Molecular Weight388.30 g/mol
Exact Mass386.97
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cccs1
InChIInChI=1S/C14H11Cl2N3O2S2/c15-12-4-3-10(6-13(12)16)8-19-9-11(7-17-19)18-23(20,21)14-2-1-5-22-14/h1-7,9,18H,8H2
InChIKeyBOXUZOKWSFIWMD-UHFFFAOYSA-N
XLogP4.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide (CID 22203670) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cccs1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is BOXUZOKWSFIWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S2/c15-12-4-3-10(6-13(12)16)8-19-9-11(7-17-19)18-23(20,21)14-2-1-5-22-14/h1-7,9,18H,8H2.
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 388.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22203670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).