6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide

C25H26ClN3O5S — CID 137447581

IUPAC6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1cc[nH]c(=O)c1N(C=O)C(=O)c1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc(Cl)c1C
InChIInChI=1S/C25H26ClN3O5S/c1-15-12-13-27-23(31)22(15)29(14-30)24(32)21-16(2)19(26)10-11-20(21)28-35(33,34)18-8-6-17(7-9-18)25(3,4)5/h6-14,28H,1-5H3,(H,27,31)
InChIKeyMNIAQWGYIKQCMZ-UHFFFAOYSA-N
MW516.02 g/mol
LogP4.55
Rot. Bonds6

About 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide

6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 137447581) has the molecular formula C25H26ClN3O5S and a molecular weight of 516.02 g/mol. Its IUPAC name is 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide
PubChem CID137447581
Molecular FormulaC25H26ClN3O5S
Molecular Weight516.02 g/mol
Exact Mass515.13
IUPAC Name6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1cc[nH]c(=O)c1N(C=O)C(=O)c1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc(Cl)c1C
InChIInChI=1S/C25H26ClN3O5S/c1-15-12-13-27-23(31)22(15)29(14-30)24(32)21-16(2)19(26)10-11-20(21)28-35(33,34)18-8-6-17(7-9-18)25(3,4)5/h6-14,28H,1-5H3,(H,27,31)
InChIKeyMNIAQWGYIKQCMZ-UHFFFAOYSA-N
XLogP4.55
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-2-formyl-N-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 137447433
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
6-[(4-tert-butylphenyl)sulfonylamino]-3-cyano-N-formyl-2-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 137447562
2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
CID 2856958
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
4-tert-butyl-N-[4-chloro-2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 24994499
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride
CID 58892097
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide (CID 137447581) is 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide is Cc1cc[nH]c(=O)c1N(C=O)C(=O)c1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc(Cl)c1C.
What is the InChIKey of 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is MNIAQWGYIKQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O5S/c1-15-12-13-27-23(31)22(15)29(14-30)24(32)21-16(2)19(26)10-11-20(21)28-35(33,34)18-8-6-17(7-9-18)25(3,4)5/h6-14,28H,1-5H3,(H,27,31).
What are the key properties of 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 516.02 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylphenyl)sulfonylamino]-3-chloro-N-formyl-2-methyl-N-(4-methyl-2-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 137447581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).