N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C17H22ClN3O2S2 — CID 112507286

IUPACN-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2cccs2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2S2/c1-20-8-10-21(11-9-20)16(14-4-6-15(18)7-5-14)13-19-25(22,23)17-3-2-12-24-17/h2-7,12,16,19H,8-11,13H2,1H3
InChIKeyQFZSKVSCCADSRR-UHFFFAOYSA-N
MW399.97 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 112507286) has the molecular formula C17H22ClN3O2S2 and a molecular weight of 399.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID112507286
Molecular FormulaC17H22ClN3O2S2
Molecular Weight399.97 g/mol
Exact Mass399.08
IUPAC NameN-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2cccs2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2S2/c1-20-8-10-21(11-9-20)16(14-4-6-15(18)7-5-14)13-19-25(22,23)17-3-2-12-24-17/h2-7,12,16,19H,8-11,13H2,1H3
InChIKeyQFZSKVSCCADSRR-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 7498366
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 30448660
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 20962695
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 16907404
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27420842
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 43957215
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15995658
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 112507286) is N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is CN1CCN(C(CNS(=O)(=O)c2cccs2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QFZSKVSCCADSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S2/c1-20-8-10-21(11-9-20)16(14-4-6-15(18)7-5-14)13-19-25(22,23)17-3-2-12-24-17/h2-7,12,16,19H,8-11,13H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 399.97 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112507286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).