N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride

C19H23ClN4O2S2 — CID 67156993

IUPACN-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2csc3ccnc(N4CCN(C)CC4)c23)cc1.Cl
InChIInChI=1S/C19H22N4O2S2.ClH/c1-14-3-5-15(6-4-14)21-27(24,25)17-13-26-16-7-8-20-19(18(16)17)23-11-9-22(2)10-12-23;/h3-8,13,21H,9-12H2,1-2H3;1H
InChIKeyHSYCNSZYPHBJDT-UHFFFAOYSA-N
MW439.01 g/mol
LogP3.58
Rot. Bonds4

About N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride

N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride (PubChem CID 67156993) has the molecular formula C19H23ClN4O2S2 and a molecular weight of 439.01 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride
PubChem CID67156993
Molecular FormulaC19H23ClN4O2S2
Molecular Weight439.01 g/mol
Exact Mass438.10
IUPAC NameN-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2csc3ccnc(N4CCN(C)CC4)c23)cc1.Cl
InChIInChI=1S/C19H22N4O2S2.ClH/c1-14-3-5-15(6-4-14)21-27(24,25)17-13-26-16-7-8-20-19(18(16)17)23-11-9-22(2)10-12-23;/h3-8,13,21H,9-12H2,1-2H3;1H
InChIKeyHSYCNSZYPHBJDT-UHFFFAOYSA-N
XLogP3.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.01
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 67156708
4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide
CID 20873893
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
6-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056968
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174059
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025891
4-piperazin-1-yl-N-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine-2-sulfonamide
CID 10343881
2,5-dimethyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582018
4-methyl-N-[4-[[[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzenesulfonamide
CID 56953909

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride (CID 67156993) is N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride is Cc1ccc(NS(=O)(=O)c2csc3ccnc(N4CCN(C)CC4)c23)cc1.Cl.
What is the InChIKey of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is HSYCNSZYPHBJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2.ClH/c1-14-3-5-15(6-4-14)21-27(24,25)17-13-26-16-7-8-20-19(18(16)17)23-11-9-22(2)10-12-23;/h3-8,13,21H,9-12H2,1-2H3;1H.
What are the key properties of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride?
N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 439.01 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 67156993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).