N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide

C18H24N4O2S2 — CID 119122068

IUPACN,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C18H24N4O2S2/c1-3-22(4-2)26(23,24)18-8-7-16(25-18)9-10-19-12-14-5-6-15-13-20-21-17(15)11-14/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3,(H,20,21)
InChIKeyHKMNQBFPCKFDEV-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.99
Rot. Bonds9

About N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide

N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 119122068) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide
PubChem CID119122068
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC NameN,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C18H24N4O2S2/c1-3-22(4-2)26(23,24)18-8-7-16(25-18)9-10-19-12-14-5-6-15-13-20-21-17(15)11-14/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3,(H,20,21)
InChIKeyHKMNQBFPCKFDEV-UHFFFAOYSA-N
XLogP2.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide (CID 119122068) is N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc3cn[nH]c3c2)s1.
What is the InChIKey of N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is HKMNQBFPCKFDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-3-22(4-2)26(23,24)18-8-7-16(25-18)9-10-19-12-14-5-6-15-13-20-21-17(15)11-14/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide?
N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 392.55 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119122068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).