2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride

C16H22Cl3N4O4S- — CID 53347329

IUPAC2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
SMILESCN1CCN(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1.[Cl-]
InChIInChI=1S/C16H22Cl2N4O4S.ClH/c1-20-2-4-21(5-3-20)19-16(23)12-10-15(14(18)11-13(12)17)27(24,25)22-6-8-26-9-7-22;/h10-11H,2-9H2,1H3,(H,19,23);1H/p-1
InChIKeyIQQGBQYXAXMZDG-UHFFFAOYSA-M
MW472.80 g/mol
LogP-2.09
Rot. Bonds4

About 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride

2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride (PubChem CID 53347329) has the molecular formula C16H22Cl3N4O4S- and a molecular weight of 472.80 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride.

Molecular Properties

Compound Name2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
PubChem CID53347329
Molecular FormulaC16H22Cl3N4O4S-
Molecular Weight472.80 g/mol
Exact Mass471.04
IUPAC Name2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
SMILESCN1CCN(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1.[Cl-]
InChIInChI=1S/C16H22Cl2N4O4S.ClH/c1-20-2-4-21(5-3-20)19-16(23)12-10-15(14(18)11-13(12)17)27(24,25)22-6-8-26-9-7-22;/h10-11H,2-9H2,1H3,(H,19,23);1H/p-1
InChIKeyIQQGBQYXAXMZDG-UHFFFAOYSA-M
XLogP-2.09
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.80
LogP ≤ 5-2.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
2,4-dichloro-N-[4-(4-methylpiperidin-1-yl)butyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55724763
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
CID 55435294

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride?
The IUPAC name of 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride (CID 53347329) is 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride.
What is the SMILES notation for 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride?
The canonical SMILES for 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride is CN1CCN(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1.[Cl-].
What is the InChIKey of 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride?
The InChIKey is IQQGBQYXAXMZDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22Cl2N4O4S.ClH/c1-20-2-4-21(5-3-20)19-16(23)12-10-15(14(18)11-13(12)17)27(24,25)22-6-8-26-9-7-22;/h10-11H,2-9H2,1H3,(H,19,23);1H/p-1.
What are the key properties of 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride?
2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride has a molecular weight of 472.80 g/mol, XLogP of -2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride is sourced from PubChem (CID 53347329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).