N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C18H30ClN3O5S — CID 119471610

IUPACN,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H29N3O5S.ClH/c1-15-14-19-8-9-21(15)18(22)16-4-6-17(7-5-16)27(23,24)20(10-12-25-2)11-13-26-3;/h4-7,15,19H,8-14H2,1-3H3;1H
InChIKeyYMCXIJMRDAOYDI-UHFFFAOYSA-N
MW435.97 g/mol
LogP0.83
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119471610) has the molecular formula C18H30ClN3O5S and a molecular weight of 435.97 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119471610
Molecular FormulaC18H30ClN3O5S
Molecular Weight435.97 g/mol
Exact Mass435.16
IUPAC NameN,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H29N3O5S.ClH/c1-15-14-19-8-9-21(15)18(22)16-4-6-17(7-5-16)27(23,24)20(10-12-25-2)11-13-26-3;/h4-7,15,19H,8-14H2,1-3H3;1H
InChIKeyYMCXIJMRDAOYDI-UHFFFAOYSA-N
XLogP0.83
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.97
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471706
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471707
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-benzylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472214
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 119411111
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119471610) is N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCNCC2C)cc1.Cl.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is YMCXIJMRDAOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S.ClH/c1-15-14-19-8-9-21(15)18(22)16-4-6-17(7-5-16)27(23,24)20(10-12-25-2)11-13-26-3;/h4-7,15,19H,8-14H2,1-3H3;1H.
What are the key properties of N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 435.97 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119471610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).