N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

C23H22ClN3O5S — CID 27569068

IUPACN-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H22ClN3O5S/c1-15-7-8-16(2)21(13-15)32-14-22(28)25-26-23(29)17-9-11-18(12-10-17)33(30,31)27-20-6-4-3-5-19(20)24/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNRTITVSPBIZRSM-UHFFFAOYSA-N
MW487.97 g/mol
LogP3.60
Rot. Bonds7

About N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 27569068) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID27569068
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC NameN-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H22ClN3O5S/c1-15-7-8-16(2)21(13-15)32-14-22(28)25-26-23(29)17-9-11-18(12-10-17)33(30,31)27-20-6-4-3-5-19(20)24/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNRTITVSPBIZRSM-UHFFFAOYSA-N
XLogP3.60
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
CID 27569057
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 26846171
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(2-chlorophenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1014101
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 55566297
N-(2-chlorophenyl)-4-[2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
CID 3477654
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (CID 27569068) is N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is NRTITVSPBIZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-15-7-8-16(2)21(13-15)32-14-22(28)25-26-23(29)17-9-11-18(12-10-17)33(30,31)27-20-6-4-3-5-19(20)24/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 487.97 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 27569068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).