4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide

C13H21ClN2O2S — CID 107320547

IUPAC4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCCCCCl)cc1
InChIInChI=1S/C13H21ClN2O2S/c1-16(2)19(17,18)13-8-6-12(7-9-13)15-11-5-3-4-10-14/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyPDJHMLHXMJSBQW-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.76
Rot. Bonds8

About 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide

4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 107320547) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID107320547
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCCCCCl)cc1
InChIInChI=1S/C13H21ClN2O2S/c1-16(2)19(17,18)13-8-6-12(7-9-13)15-11-5-3-4-10-14/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyPDJHMLHXMJSBQW-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
4-(Prop-2-yn-1-ylamino)benzenesulfonamide
CID 10512636
Thiol-arylsulfonamide, 16a
CID 25138248
2-chloro-N-(4-sulfamoylphenyl)acetamide
CID 352299
Thiol-arylsulfonamide, 16b
CID 25138249
4-(formylamino)-N,N-dimethylbenzenesulfonamide
CID 897238
4-Amino-N-(3,5-bis-methylamino-phenyl)-benzenesulfonamide
CID 10757046
4-(Bis(2-chloroethyl)amino)benzenesulfonamide
CID 74893
Acetanilide, 2,2-dichloro-4'-(dimethylsulfamoyl)-
CID 31825

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide (CID 107320547) is 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCCCCCl)cc1.
What is the InChIKey of 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is PDJHMLHXMJSBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-16(2)19(17,18)13-8-6-12(7-9-13)15-11-5-3-4-10-14/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide?
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 304.84 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107320547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).