4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide

C14H22ClN3O2S — CID 83113474

IUPAC4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(N)c(Cl)c2)CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)11-5-6-13(16)12(15)9-11/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyTZKUCRJKZIHJCX-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.07
Rot. Bonds5

About 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide

4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 83113474) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
PubChem CID83113474
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(N)c(Cl)c2)CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)11-5-6-13(16)12(15)9-11/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyTZKUCRJKZIHJCX-UHFFFAOYSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
CID 105420269
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
4-amino-3-chloro-N-prop-2-ynylbenzenesulfonamide
CID 115329264
5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 105419180
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide (CID 83113474) is 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2ccc(N)c(Cl)c2)CCCC1.
What is the InChIKey of 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is TZKUCRJKZIHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)11-5-6-13(16)12(15)9-11/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 83113474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).