N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide

C15H22ClFN2O3S — CID 113144275

IUPACN-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22ClFN2O3S/c1-4-5-9-18(2)15(20)8-10-19(23(3,21)22)12-6-7-14(17)13(16)11-12/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyVBBNFTBUGQTEKN-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.89
Rot. Bonds8

About N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide

N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 113144275) has the molecular formula C15H22ClFN2O3S and a molecular weight of 364.87 g/mol. Its IUPAC name is N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID113144275
Molecular FormulaC15H22ClFN2O3S
Molecular Weight364.87 g/mol
Exact Mass364.10
IUPAC NameN-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22ClFN2O3S/c1-4-5-9-18(2)15(20)8-10-19(23(3,21)22)12-6-7-14(17)13(16)11-12/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyVBBNFTBUGQTEKN-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide 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-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143083
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113144245
ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135
3-(N-butyl-3-chloro-4-fluoroanilino)propanoic acid
CID 82317933
3-(3-chloro-4-fluoro-N-pentylanilino)propanoic acid
CID 82318103

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide (CID 113144275) is N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide is CCCCN(C)C(=O)CCN(c1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is VBBNFTBUGQTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O3S/c1-4-5-9-18(2)15(20)8-10-19(23(3,21)22)12-6-7-14(17)13(16)11-12/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 364.87 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 113144275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).