N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide

C12H19ClN2O3S — CID 106047989

IUPACN-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H19ClN2O3S/c1-14-7-3-4-8-19(16,17)15-10-5-6-12(18-2)11(13)9-10/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKeyGXEMWRPIDOFZTN-UHFFFAOYSA-N
MW306.82 g/mol
LogP2.09
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide

N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106047989) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106047989
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H19ClN2O3S/c1-14-7-3-4-8-19(16,17)15-10-5-6-12(18-2)11(13)9-10/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKeyGXEMWRPIDOFZTN-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide 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-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106057660
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide (CID 106047989) is N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is GXEMWRPIDOFZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-14-7-3-4-8-19(16,17)15-10-5-6-12(18-2)11(13)9-10/h5-6,9,14-15H,3-4,7-8H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106047989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).