N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

C24H26ClN3O5S2 — CID 5175766

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H26ClN3O5S2/c1-16-5-12-22(15-17(16)2)28(34(4,30)31)18(3)24(29)26-20-10-13-23(14-11-20)35(32,33)27-21-8-6-19(25)7-9-21/h5-15,18,27H,1-4H3,(H,26,29)
InChIKeyNYKDNCFSUAHPJO-UHFFFAOYSA-N
MW536.08 g/mol
LogP4.55
Rot. Bonds8

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 5175766) has the molecular formula C24H26ClN3O5S2 and a molecular weight of 536.08 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID5175766
Molecular FormulaC24H26ClN3O5S2
Molecular Weight536.08 g/mol
Exact Mass535.10
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C24H26ClN3O5S2/c1-16-5-12-22(15-17(16)2)28(34(4,30)31)18(3)24(29)26-20-10-13-23(14-11-20)35(32,33)27-21-8-6-19(25)7-9-21/h5-15,18,27H,1-4H3,(H,26,29)
InChIKeyNYKDNCFSUAHPJO-UHFFFAOYSA-N
XLogP4.55
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.08
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 124551344
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 126415254
(2R)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 124552410
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126415837
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94864743
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 28633734
2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 3893347
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 124555621

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 5175766) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is NYKDNCFSUAHPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5S2/c1-16-5-12-22(15-17(16)2)28(34(4,30)31)18(3)24(29)26-20-10-13-23(14-11-20)35(32,33)27-21-8-6-19(25)7-9-21/h5-15,18,27H,1-4H3,(H,26,29).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 536.08 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 5175766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).