N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide

C16H18ClN3O3S — CID 55826230

IUPACN-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-18-24(22,23)13-7-4-11(5-8-13)16(21)19-12-6-9-15(20(2)3)14(17)10-12/h4-10,18H,1-3H3,(H,19,21)
InChIKeyUPNXGYZULDPQCK-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.57
Rot. Bonds5

About N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide

N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide (PubChem CID 55826230) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide
PubChem CID55826230
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-18-24(22,23)13-7-4-11(5-8-13)16(21)19-12-6-9-15(20(2)3)14(17)10-12/h4-10,18H,1-3H3,(H,19,21)
InChIKeyUPNXGYZULDPQCK-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)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

N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[3-chloro-4-(dimethylamino)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 55821414
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 27229396
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
4-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 31909404

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide (CID 55826230) is N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is UPNXGYZULDPQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-18-24(22,23)13-7-4-11(5-8-13)16(21)19-12-6-9-15(20(2)3)14(17)10-12/h4-10,18H,1-3H3,(H,19,21).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 367.86 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55826230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).