3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

C14H22ClN3O2S — CID 105413736

IUPAC3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccc(Cl)c(N)c2)CCC1
InChIInChI=1S/C14H22ClN3O2S/c1-17(2)14(7-4-8-14)10-18(3)21(19,20)11-5-6-12(15)13(16)9-11/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyDVIXVMCLRRDROE-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (PubChem CID 105413736) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
PubChem CID105413736
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccc(Cl)c(N)c2)CCC1
InChIInChI=1S/C14H22ClN3O2S/c1-17(2)14(7-4-8-14)10-18(3)21(19,20)11-5-6-12(15)13(16)9-11/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyDVIXVMCLRRDROE-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-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413706
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide
CID 105413746
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154
3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 62058073
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43374844
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide
CID 105421421
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (CID 105413736) is 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2ccc(Cl)c(N)c2)CCC1.
What is the InChIKey of 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is DVIXVMCLRRDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-17(2)14(7-4-8-14)10-18(3)21(19,20)11-5-6-12(15)13(16)9-11/h5-6,9H,4,7-8,10,16H2,1-3H3.
What are the key properties of 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
3-amino-4-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 3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 105413736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).