N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide

C20H13ClN4O3S — CID 25348859

IUPACN-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide
SMILESN#Cc1ccc(Nc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1
InChIInChI=1S/C20H13ClN4O3S/c21-16-3-1-2-4-17(16)25-29(26,27)15-9-10-18-19(11-15)28-20(24-18)23-14-7-5-13(12-22)6-8-14/h1-11,25H,(H,23,24)
InChIKeyOXJLWVPNXCCXNI-UHFFFAOYSA-N
MW424.87 g/mol
LogP4.90
Rot. Bonds5

About N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide

N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide (PubChem CID 25348859) has the molecular formula C20H13ClN4O3S and a molecular weight of 424.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide
PubChem CID25348859
Molecular FormulaC20H13ClN4O3S
Molecular Weight424.87 g/mol
Exact Mass424.04
IUPAC NameN-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide
SMILESN#Cc1ccc(Nc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1
InChIInChI=1S/C20H13ClN4O3S/c21-16-3-1-2-4-17(16)25-29(26,27)15-9-10-18-19(11-15)28-20(24-18)23-14-7-5-13(12-22)6-8-14/h1-11,25H,(H,23,24)
InChIKeyOXJLWVPNXCCXNI-UHFFFAOYSA-N
XLogP4.90
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
2-N-(2-chlorophenyl)-1,3-benzoxazole-2,6-diamine
CID 79890014
2-[[6-[(2-chlorophenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 25475643
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
N-(2-chlorophenyl)-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1,3-benzoxazole-6-sulfonamide
CID 3531853
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile
CID 25023332
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide (CID 25348859) is N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide is N#Cc1ccc(Nc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is OXJLWVPNXCCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3S/c21-16-3-1-2-4-17(16)25-29(26,27)15-9-10-18-19(11-15)28-20(24-18)23-14-7-5-13(12-22)6-8-14/h1-11,25H,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide?
N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 424.87 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-cyanoanilino)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 25348859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).