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

C12H16Cl2N2O2S — CID 55125659

IUPAC4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-16(7-8-3-2-4-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyJRRGLJYQRQUCCK-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.00
Rot. Bonds4

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

4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide (PubChem CID 55125659) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
PubChem CID55125659
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-16(7-8-3-2-4-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyJRRGLJYQRQUCCK-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.00
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-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 61114490
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726437
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide (CID 55125659) is 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide is CN(CC1CCC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is JRRGLJYQRQUCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-16(7-8-3-2-4-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 3.00, 4 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-(cyclobutylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 55125659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).