4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide

C11H13Cl2N3O2S — CID 61139208

IUPAC4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H13Cl2N3O2S/c1-7(5-14)6-16(2)19(17,18)11-9(12)3-8(15)4-10(11)13/h3-4,7H,6,15H2,1-2H3
InChIKeyJXNFGTDYWQBROP-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.36
Rot. Bonds4

About 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide

4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide (PubChem CID 61139208) has the molecular formula C11H13Cl2N3O2S and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
PubChem CID61139208
Molecular FormulaC11H13Cl2N3O2S
Molecular Weight322.22 g/mol
Exact Mass321.01
IUPAC Name4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H13Cl2N3O2S/c1-7(5-14)6-16(2)19(17,18)11-9(12)3-8(15)4-10(11)13/h3-4,7H,6,15H2,1-2H3
InChIKeyJXNFGTDYWQBROP-UHFFFAOYSA-N
XLogP2.36
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914100
3-amino-N-(2-cyanopropyl)-N,5-dimethylbenzenesulfonamide
CID 61138827
5-chloro-N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608758
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
CID 64600117
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 42961147
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide (CID 61139208) is 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide is CC(C#N)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide?
The InChIKey is JXNFGTDYWQBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2S/c1-7(5-14)6-16(2)19(17,18)11-9(12)3-8(15)4-10(11)13/h3-4,7H,6,15H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61139208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).