3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide

C11H17ClN2O3S — CID 102694349

IUPAC3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C11H17ClN2O3S/c1-7(17-3)6-14-18(15,16)11-5-9(12)4-10(13)8(11)2/h4-5,7,14H,6,13H2,1-3H3
InChIKeyZFUCFRWXAGIPHB-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide

3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide (PubChem CID 102694349) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
PubChem CID102694349
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C11H17ClN2O3S/c1-7(17-3)6-14-18(15,16)11-5-9(12)4-10(13)8(11)2/h4-5,7,14H,6,13H2,1-3H3
InChIKeyZFUCFRWXAGIPHB-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
2,5-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701374
5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701487
5-(aminomethyl)-N-(2-methoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 102701453
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102701324
3-amino-5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 114379407
3-bromo-5-(chloromethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701357
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114380051

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide (CID 102694349) is 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide is COC(C)CNS(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is ZFUCFRWXAGIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-7(17-3)6-14-18(15,16)11-5-9(12)4-10(13)8(11)2/h4-5,7,14H,6,13H2,1-3H3.
What are the key properties of 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 102694349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).