5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide

C14H23ClN2O3S — CID 82879498

IUPAC5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)N(C)CCCOC)c1C
InChIInChI=1S/C14H23ClN2O3S/c1-11-12(10-16-2)8-13(15)9-14(11)21(18,19)17(3)6-5-7-20-4/h8-9,16H,5-7,10H2,1-4H3
InChIKeyTWEIWWVNJFXSFT-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.02
Rot. Bonds8

About 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide

5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 82879498) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID82879498
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)N(C)CCCOC)c1C
InChIInChI=1S/C14H23ClN2O3S/c1-11-12(10-16-2)8-13(15)9-14(11)21(18,19)17(3)6-5-7-20-4/h8-9,16H,5-7,10H2,1-4H3
InChIKeyTWEIWWVNJFXSFT-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82878475
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988257
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 82885260
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884539
3-amino-5-bromo-N-(3-methoxypropyl)-N,2-dimethylbenzenesulfonamide
CID 114379564
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
3-fluoro-5-[3-methoxypropyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 63008006
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879348

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide (CID 82879498) is 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)N(C)CCCOC)c1C.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is TWEIWWVNJFXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-11-12(10-16-2)8-13(15)9-14(11)21(18,19)17(3)6-5-7-20-4/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 82879498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).