4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide

C17H18ClN3O4S — CID 110314496

IUPAC4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11(22)19-12-4-7-14(8-5-12)26(24,25)20-13-6-9-15(16(18)10-13)17(23)21(2)3/h4-10,20H,1-3H3,(H,19,22)
InChIKeyMIWDYPHAHZQLRB-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.80
Rot. Bonds5

About 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide

4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide (PubChem CID 110314496) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide
PubChem CID110314496
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11(22)19-12-4-7-14(8-5-12)26(24,25)20-13-6-9-15(16(18)10-13)17(23)21(2)3/h4-10,20H,1-3H3,(H,19,22)
InChIKeyMIWDYPHAHZQLRB-UHFFFAOYSA-N
XLogP2.80
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-amino-3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 8538672
2-chloro-N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 110314501
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
N-[4-[[4-(N-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986157
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide (CID 110314496) is 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1.
What is the InChIKey of 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is MIWDYPHAHZQLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-11(22)19-12-4-7-14(8-5-12)26(24,25)20-13-6-9-15(16(18)10-13)17(23)21(2)3/h4-10,20H,1-3H3,(H,19,22).
What are the key properties of 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide?
4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 395.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidophenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 110314496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).