4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide

C12H19ClN2O2S — CID 113370372

IUPAC4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-4-15(9(2)3)18(16,17)11-6-5-10(8-14)12(13)7-11/h5-7,9H,4,8,14H2,1-3H3
InChIKeyPOMDINNZUFVOLR-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.22
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide

4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 113370372) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID113370372
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-4-15(9(2)3)18(16,17)11-6-5-10(8-14)12(13)7-11/h5-7,9H,4,8,14H2,1-3H3
InChIKeyPOMDINNZUFVOLR-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide 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

3-chloro-N-ethyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091216
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
4-(aminomethyl)-3-chloro-N-prop-2-enyl-N-propylbenzenesulfonamide
CID 107091607
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline
CID 62946685
4-(aminomethyl)-3-chloro-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083429
4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734208
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
N-butan-2-yl-3-chloro-4-(chloromethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107091030
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
3-chloro-4-(chloromethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107091002
4-(3-aminoprop-1-ynyl)-N-ethyl-3-fluoro-N-propan-2-ylbenzenesulfonamide
CID 107652699

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide (CID 113370372) is 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is POMDINNZUFVOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-15(9(2)3)18(16,17)11-6-5-10(8-14)12(13)7-11/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide?
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113370372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).