N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C25H26ClN3O7S2 — CID 43882681

IUPACN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C25H26ClN3O7S2/c1-17-22(26)4-3-5-23(17)28-37(31,32)19-8-6-18(7-9-19)27-25(30)21-16-20(10-11-24(21)35-2)38(33,34)29-12-14-36-15-13-29/h3-11,16,28H,12-15H2,1-2H3,(H,27,30)
InChIKeyJRMRIMGLGPSKTP-UHFFFAOYSA-N
MW580.08 g/mol
LogP3.73
Rot. Bonds8

About N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43882681) has the molecular formula C25H26ClN3O7S2 and a molecular weight of 580.08 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43882681
Molecular FormulaC25H26ClN3O7S2
Molecular Weight580.08 g/mol
Exact Mass579.09
IUPAC NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C25H26ClN3O7S2/c1-17-22(26)4-3-5-23(17)28-37(31,32)19-8-6-18(7-9-19)27-25(30)21-16-20(10-11-24(21)35-2)38(33,34)29-12-14-36-15-13-29/h3-11,16,28H,12-15H2,1-2H3,(H,27,30)
InChIKeyJRMRIMGLGPSKTP-UHFFFAOYSA-N
XLogP3.73
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.08
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
2-methoxy-5-morpholin-4-ylsulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43876086
5-(azepan-1-ylsulfonyl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 43882708
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 46764473
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 43882681) is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JRMRIMGLGPSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O7S2/c1-17-22(26)4-3-5-23(17)28-37(31,32)19-8-6-18(7-9-19)27-25(30)21-16-20(10-11-24(21)35-2)38(33,34)29-12-14-36-15-13-29/h3-11,16,28H,12-15H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 580.08 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43882681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).