N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide

C17H26ClN3O2S2 — CID 91552491

IUPACN-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
SMILESCCCCn1ccc(C(NS(=O)(=O)c2ccc(Cl)s2)C(CC)CC)n1
InChIInChI=1S/C17H26ClN3O2S2/c1-4-7-11-21-12-10-14(19-21)17(13(5-2)6-3)20-25(22,23)16-9-8-15(18)24-16/h8-10,12-13,17,20H,4-7,11H2,1-3H3
InChIKeyMQARSISGJRPWGD-UHFFFAOYSA-N
MW404.00 g/mol
LogP4.85
Rot. Bonds10

About N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide

N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 91552491) has the molecular formula C17H26ClN3O2S2 and a molecular weight of 404.00 g/mol. Its IUPAC name is N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
PubChem CID91552491
Molecular FormulaC17H26ClN3O2S2
Molecular Weight404.00 g/mol
Exact Mass403.12
IUPAC NameN-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
SMILESCCCCn1ccc(C(NS(=O)(=O)c2ccc(Cl)s2)C(CC)CC)n1
InChIInChI=1S/C17H26ClN3O2S2/c1-4-7-11-21-12-10-14(19-21)17(13(5-2)6-3)20-25(22,23)16-9-8-15(18)24-16/h8-10,12-13,17,20H,4-7,11H2,1-3H3
InChIKeyMQARSISGJRPWGD-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.00
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide (CID 91552491) is N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide is CCCCn1ccc(C(NS(=O)(=O)c2ccc(Cl)s2)C(CC)CC)n1.
What is the InChIKey of N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is MQARSISGJRPWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2S2/c1-4-7-11-21-12-10-14(19-21)17(13(5-2)6-3)20-25(22,23)16-9-8-15(18)24-16/h8-10,12-13,17,20H,4-7,11H2,1-3H3.
What are the key properties of N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 404.00 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 91552491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).