2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide

C14H22ClN3O2S — CID 83108494

IUPAC2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cc(Cl)ccc2N)CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)13-9-11(15)5-6-12(13)16/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyNSZFAULWPBTROL-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.07
Rot. Bonds5

About 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide

2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 83108494) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
PubChem CID83108494
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cc(Cl)ccc2N)CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)13-9-11(15)5-6-12(13)16/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyNSZFAULWPBTROL-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

2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61127654

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide (CID 83108494) is 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2cc(Cl)ccc2N)CCCC1.
What is the InChIKey of 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is NSZFAULWPBTROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)13-9-11(15)5-6-12(13)16/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
2-amino-5-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 2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 83108494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).