2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C27H29ClN4O7S2 — CID 18328751

IUPAC2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H29ClN4O7S2/c28-20-1-6-23(7-2-20)40(34,35)30-26-10-5-22(31-11-15-38-16-12-31)19-25(26)27(33)29-21-3-8-24(9-4-21)41(36,37)32-13-17-39-18-14-32/h1-10,19,30H,11-18H2,(H,29,33)
InChIKeyNWUBPUGCCMKYEU-UHFFFAOYSA-N
MW621.14 g/mol
LogP3.25
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 18328751) has the molecular formula C27H29ClN4O7S2 and a molecular weight of 621.14 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID18328751
Molecular FormulaC27H29ClN4O7S2
Molecular Weight621.14 g/mol
Exact Mass620.12
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H29ClN4O7S2/c28-20-1-6-23(7-2-20)40(34,35)30-26-10-5-22(31-11-15-38-16-12-31)19-25(26)27(33)29-21-3-8-24(9-4-21)41(36,37)32-13-17-39-18-14-32/h1-10,19,30H,11-18H2,(H,29,33)
InChIKeyNWUBPUGCCMKYEU-UHFFFAOYSA-N
XLogP3.25
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.14
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 22495967
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 22495926
2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
CID 45302820
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 22495963
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 4841701
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 18328751) is 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is NWUBPUGCCMKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O7S2/c28-20-1-6-23(7-2-20)40(34,35)30-26-10-5-22(31-11-15-38-16-12-31)19-25(26)27(33)29-21-3-8-24(9-4-21)41(36,37)32-13-17-39-18-14-32/h1-10,19,30H,11-18H2,(H,29,33).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 621.14 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 18328751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).