4-amino-N-butyl-2,5-dichlorobenzenesulfonamide

C10H14Cl2N2O2S — CID 70634654

IUPAC4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-2-3-4-14-17(15,16)10-6-7(11)9(13)5-8(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyRDQKWPXWHYYREU-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.65
Rot. Bonds5

About 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide

4-amino-N-butyl-2,5-dichlorobenzenesulfonamide (PubChem CID 70634654) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
PubChem CID70634654
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-2-3-4-14-17(15,16)10-6-7(11)9(13)5-8(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyRDQKWPXWHYYREU-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
CID 106058220
4-amino-2,5-dichloro-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70578779
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
N-butyl-2-chloro-4-methoxybenzenesulfonamide
CID 110758761
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
CID 99978040
3-amino-4-bromo-5-chloro-2-fluoro-N-hexylbenzenesulfonamide
CID 103077353
3-(butylsulfamoyl)-4-chlorobenzoyl chloride
CID 21316600
4-amino-2,5-dichloro-N-propan-2-ylbenzenesulfonamide
CID 57320385

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide (CID 70634654) is 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide is CCCCNS(=O)(=O)c1cc(Cl)c(N)cc1Cl.
What is the InChIKey of 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide?
The InChIKey is RDQKWPXWHYYREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-2-3-4-14-17(15,16)10-6-7(11)9(13)5-8(10)12/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide?
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 70634654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).