2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

C14H22ClN3O2S — CID 105413706

IUPAC2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2c(N)cccc2Cl)CCC1
InChIInChI=1S/C14H22ClN3O2S/c1-17(2)14(8-5-9-14)10-18(3)21(19,20)13-11(15)6-4-7-12(13)16/h4,6-7H,5,8-10,16H2,1-3H3
InChIKeyCDAZWPMBFMZEDT-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.03
Rot. Bonds5

About 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (PubChem CID 105413706) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
PubChem CID105413706
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2c(N)cccc2Cl)CCC1
InChIInChI=1S/C14H22ClN3O2S/c1-17(2)14(8-5-9-14)10-18(3)21(19,20)13-11(15)6-4-7-12(13)16/h4,6-7H,5,8-10,16H2,1-3H3
InChIKeyCDAZWPMBFMZEDT-UHFFFAOYSA-N
XLogP2.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.03
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

2-amino-N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105485
2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61107390
2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61889810
2-amino-6-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61890387
3-Chloro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61890396
2-amino-6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61891540
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61891731
2-amino-6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61892477
2-amino-6-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61892483
2-amino-N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61892675
2-amino-6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65534388
3-Chloro-2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 65534392

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (CID 105413706) is 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2c(N)cccc2Cl)CCC1.
What is the InChIKey of 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is CDAZWPMBFMZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-17(2)14(8-5-9-14)10-18(3)21(19,20)13-11(15)6-4-7-12(13)16/h4,6-7H,5,8-10,16H2,1-3H3.
What are the key properties of 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 105413706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).