4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide

C13H18Cl2N2O2S — CID 61113304

IUPAC4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-8(2)7-17(10-3-4-10)20(18,19)13-11(14)5-9(16)6-12(13)15/h5-6,8,10H,3-4,7,16H2,1-2H3
InChIKeyRGZQJTBFNNQXJV-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.38
Rot. Bonds5

About 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide

4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 61113304) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID61113304
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-8(2)7-17(10-3-4-10)20(18,19)13-11(14)5-9(16)6-12(13)15/h5-6,8,10H,3-4,7,16H2,1-2H3
InChIKeyRGZQJTBFNNQXJV-UHFFFAOYSA-N
XLogP3.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114379068
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659
4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 61114490
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide (CID 61113304) is 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is RGZQJTBFNNQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-8(2)7-17(10-3-4-10)20(18,19)13-11(14)5-9(16)6-12(13)15/h5-6,8,10H,3-4,7,16H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 61113304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).