sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide

C21H18Cl2N3NaO6S3 — CID 23694739

IUPACsodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1.[Na+]
InChIInChI=1S/C21H19Cl2N3O6S3.Na/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26;/h1-8,13H,9-12H2,(H2,24,25,27);/q;+1/p-1
InChIKeyOPLFZLANTJVJDX-UHFFFAOYSA-M
MW598.49 g/mol
LogP1.73
Rot. Bonds7

About sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide

sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide (PubChem CID 23694739) has the molecular formula C21H18Cl2N3NaO6S3 and a molecular weight of 598.49 g/mol. Its IUPAC name is sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide.

Molecular Properties

Compound Namesodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide
PubChem CID23694739
Molecular FormulaC21H18Cl2N3NaO6S3
Molecular Weight598.49 g/mol
Exact Mass596.96
IUPAC Namesodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1.[Na+]
InChIInChI=1S/C21H19Cl2N3O6S3.Na/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26;/h1-8,13H,9-12H2,(H2,24,25,27);/q;+1/p-1
InChIKeyOPLFZLANTJVJDX-UHFFFAOYSA-M
XLogP1.73
TPSA123.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
CID 4642440
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 22495967
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 22495926
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450

Frequently Asked Questions

What is the IUPAC name of sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide?
The IUPAC name of sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide (CID 23694739) is sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide.
What is the SMILES notation for sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide?
The canonical SMILES for sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1.[Na+].
What is the InChIKey of sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide?
The InChIKey is OPLFZLANTJVJDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19Cl2N3O6S3.Na/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26;/h1-8,13H,9-12H2,(H2,24,25,27);/q;+1/p-1.
What are the key properties of sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide?
sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide has a molecular weight of 598.49 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]-(5-chlorothiophen-2-yl)sulfonylazanide is sourced from PubChem (CID 23694739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).