2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide

C22H16ClN3O3S — CID 3397127

IUPAC2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl
InChIInChI=1S/C22H16ClN3O3S/c23-20-11-10-18(13-19(20)22(27)25-16-7-2-1-3-8-16)30(28,29)26-17-12-15-6-4-5-9-21(15)24-14-17/h1-14,26H,(H,25,27)
InChIKeyYQBBULKYDAMGAW-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.94
Rot. Bonds5

About 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide

2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide (PubChem CID 3397127) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
PubChem CID3397127
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC Name2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl
InChIInChI=1S/C22H16ClN3O3S/c23-20-11-10-18(13-19(20)22(27)25-16-7-2-1-3-8-16)30(28,29)26-17-12-15-6-4-5-9-21(15)24-14-17/h1-14,26H,(H,25,27)
InChIKeyYQBBULKYDAMGAW-UHFFFAOYSA-N
XLogP4.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide (CID 3397127) is 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide is O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide?
The InChIKey is YQBBULKYDAMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-20-11-10-18(13-19(20)22(27)25-16-7-2-1-3-8-16)30(28,29)26-17-12-15-6-4-5-9-21(15)24-14-17/h1-14,26H,(H,25,27).
What are the key properties of 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide?
2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide has a molecular weight of 437.91 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 3397127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).