3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide

C12H16ClFN2O2S — CID 126829873

IUPAC3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2O2S/c1-16(2)12(3-4-12)8-15-19(17,18)11-6-9(13)5-10(14)7-11/h5-7,15H,3-4,8H2,1-2H3
InChIKeyQDIWZDYUCHNOAZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.85
Rot. Bonds5

About 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide

3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide (PubChem CID 126829873) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide
PubChem CID126829873
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2O2S/c1-16(2)12(3-4-12)8-15-19(17,18)11-6-9(13)5-10(14)7-11/h5-7,15H,3-4,8H2,1-2H3
InChIKeyQDIWZDYUCHNOAZ-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327558
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
3-chloro-N-(1,3-dioxan-2-ylmethyl)-5-fluorobenzenesulfonamide
CID 126824889
6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
CID 105420269
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 105419180
2-[[(3-chloro-5-fluorophenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660622

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide (CID 126829873) is 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide?
The InChIKey is QDIWZDYUCHNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-16(2)12(3-4-12)8-15-19(17,18)11-6-9(13)5-10(14)7-11/h5-7,15H,3-4,8H2,1-2H3.
What are the key properties of 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide?
3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 126829873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).