N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide

C17H26N4O4S — CID 99967022

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H26N4O4S/c1-18-26(23,24)16-13-14(17(22)21-9-11-25-12-10-21)3-4-15(16)20-7-5-19(2)6-8-20/h3-4,13,18H,5-12H2,1-2H3
InChIKeyNHKXKCXQDIZHTL-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.18
Rot. Bonds4

About N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide

N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 99967022) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID99967022
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H26N4O4S/c1-18-26(23,24)16-13-14(17(22)21-9-11-25-12-10-21)3-4-15(16)20-7-5-19(2)6-8-20/h3-4,13,18H,5-12H2,1-2H3
InChIKeyNHKXKCXQDIZHTL-UHFFFAOYSA-N
XLogP-0.18
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 99967080
N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258264
N-(4-iodophenyl)-4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)benzamide
CID 99966997
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 99967016
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 99967029
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone chloride
CID 53314046
N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 70848166

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 99967022) is N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is NHKXKCXQDIZHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-18-26(23,24)16-13-14(17(22)21-9-11-25-12-10-21)3-4-15(16)20-7-5-19(2)6-8-20/h3-4,13,18H,5-12H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 99967022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).