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

C11H14Cl2N2O2S — CID 60983932

IUPAC4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-15(6-7-2-3-7)18(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyBECGQRCIERMRHY-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.61
Rot. Bonds4

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

4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (PubChem CID 60983932) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
PubChem CID60983932
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-15(6-7-2-3-7)18(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyBECGQRCIERMRHY-UHFFFAOYSA-N
XLogP2.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.61
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-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659
4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 61114490
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726437
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61113304
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 43648502
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (CID 60983932) is 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is BECGQRCIERMRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-15(6-7-2-3-7)18(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 2.61, 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-(cyclopropylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60983932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).