N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride

C18H24ClN3O3S2 — CID 120571168

IUPACN-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCC1NCCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1C.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-13-14(2)21(10-9-19-13)17(22)12-15-5-7-16(8-6-15)20-26(23,24)18-4-3-11-25-18;/h3-8,11,13-14,19-20H,9-10,12H2,1-2H3;1H
InChIKeyNIBRKXUYCUTGQS-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.72
Rot. Bonds5

About N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride

N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 120571168) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID120571168
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCC1NCCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1C.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-13-14(2)21(10-9-19-13)17(22)12-15-5-7-16(8-6-15)20-26(23,24)18-4-3-11-25-18;/h3-8,11,13-14,19-20H,9-10,12H2,1-2H3;1H
InChIKeyNIBRKXUYCUTGQS-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride (CID 120571168) is N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride is CC1NCCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1C.Cl.
What is the InChIKey of N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is NIBRKXUYCUTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-13-14(2)21(10-9-19-13)17(22)12-15-5-7-16(8-6-15)20-26(23,24)18-4-3-11-25-18;/h3-8,11,13-14,19-20H,9-10,12H2,1-2H3;1H.
What are the key properties of N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride?
N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120571168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).