N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide

C18H22ClN3O3S — CID 139713762

IUPACN-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide
SMILESCN(C)CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)12-22(3)16-7-5-6-15(17(16)26(4,24)25)18(23)20-14-10-8-13(19)9-11-14/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyDZVPGSJUKCBTHV-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.95
Rot. Bonds6

About N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide

N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide (PubChem CID 139713762) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide
PubChem CID139713762
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide
SMILESCN(C)CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)12-22(3)16-7-5-6-15(17(16)26(4,24)25)18(23)20-14-10-8-13(19)9-11-14/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyDZVPGSJUKCBTHV-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide 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-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide
CID 22131294
2-[3-[(4-chlorophenyl)carbamoyl]-N-methyl-2-nitroanilino]ethyl 4-methylbenzenesulfonate
CID 139713706
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
methyl 2-amino-3-[(4-chlorophenyl)carbamoyl]benzoate
CID 69478568
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
3-[2-(4-acetylpiperazin-1-yl)ethyl-methylamino]-N-(4-chlorophenyl)-2-nitrobenzamide
CID 139713790
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide
CID 175815954

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide (CID 139713762) is N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide is CN(C)CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1S(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide?
The InChIKey is DZVPGSJUKCBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-21(2)12-22(3)16-7-5-6-15(17(16)26(4,24)25)18(23)20-14-10-8-13(19)9-11-14/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide?
N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide has a molecular weight of 395.91 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(dimethylamino)methyl-methylamino]-2-methylsulfonylbenzamide is sourced from PubChem (CID 139713762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).