N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide

C12H18Cl2N2O2S — CID 65193954

IUPACN-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
SMILESCCC(CN)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-4-9(6-15)16-19(17,18)12-8(3)10(13)5-7(2)11(12)14/h5,9,16H,4,6,15H2,1-3H3
InChIKeyWVEIKYZFYSJHRX-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.63
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide

N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide (PubChem CID 65193954) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
PubChem CID65193954
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC NameN-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
SMILESCCC(CN)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-4-9(6-15)16-19(17,18)12-8(3)10(13)5-7(2)11(12)14/h5,9,16H,4,6,15H2,1-3H3
InChIKeyWVEIKYZFYSJHRX-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide 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-(aminomethyl)pentan-3-yl]-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 63886812
N-(3-aminopropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43605726
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3,6-dimethylbenzenesulfonamide
CID 103912604
lithium;2,5-dichloro-3,6-dimethylbenzenesulfonic acid;hydride
CID 174049527
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
lithium 2,5-dichloro-3,6-dimethylbenzenesulfonate
CID 162685742
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]oxyacetic acid
CID 60661414
3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43091501
4-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81067188
N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
CID 55104182
4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide (CID 65193954) is N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide is CCC(CN)NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl.
What is the InChIKey of N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The InChIKey is WVEIKYZFYSJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-4-9(6-15)16-19(17,18)12-8(3)10(13)5-7(2)11(12)14/h5,9,16H,4,6,15H2,1-3H3.
What are the key properties of N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 65193954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).