4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride

C14H21Cl2N3O3S — CID 119471892

IUPAC4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H20ClN3O3S.ClH/c1-10-9-16-7-8-18(10)14(19)11(2)17-22(20,21)13-5-3-12(15)4-6-13;/h3-6,10-11,16-17H,7-9H2,1-2H3;1H
InChIKeyFTUHIBHRRJQVNX-UHFFFAOYSA-N
MW382.31 g/mol
LogP1.25
Rot. Bonds4

About 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride

4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride (PubChem CID 119471892) has the molecular formula C14H21Cl2N3O3S and a molecular weight of 382.31 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
PubChem CID119471892
Molecular FormulaC14H21Cl2N3O3S
Molecular Weight382.31 g/mol
Exact Mass381.07
IUPAC Name4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H20ClN3O3S.ClH/c1-10-9-16-7-8-18(10)14(19)11(2)17-22(20,21)13-5-3-12(15)4-6-13;/h3-6,10-11,16-17H,7-9H2,1-2H3;1H
InChIKeyFTUHIBHRRJQVNX-UHFFFAOYSA-N
XLogP1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473180
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
4-chloro-N-[(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 56511808
N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 129345225

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride (CID 119471892) is 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCNCC1C.Cl.
What is the InChIKey of 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride?
The InChIKey is FTUHIBHRRJQVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S.ClH/c1-10-9-16-7-8-18(10)14(19)11(2)17-22(20,21)13-5-3-12(15)4-6-13;/h3-6,10-11,16-17H,7-9H2,1-2H3;1H.
What are the key properties of 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride?
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride has a molecular weight of 382.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119471892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).