2-(2-butoxyethylamino)benzenesulfonamide

C12H20N2O3S — CID 61169915

IUPAC2-(2-butoxyethylamino)benzenesulfonamide
SMILESCCCCOCCNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O3S/c1-2-3-9-17-10-8-14-11-6-4-5-7-12(11)18(13,15)16/h4-7,14H,2-3,8-10H2,1H3,(H2,13,15,16)
InChIKeyVVSDILXAWCLFSC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.56
Rot. Bonds8

About 2-(2-butoxyethylamino)benzenesulfonamide

2-(2-butoxyethylamino)benzenesulfonamide (PubChem CID 61169915) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-butoxyethylamino)benzenesulfonamide
PubChem CID61169915
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(2-butoxyethylamino)benzenesulfonamide
SMILESCCCCOCCNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O3S/c1-2-3-9-17-10-8-14-11-6-4-5-7-12(11)18(13,15)16/h4-7,14H,2-3,8-10H2,1H3,(H2,13,15,16)
InChIKeyVVSDILXAWCLFSC-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
2-(1-aminohexan-2-ylamino)benzenesulfonamide
CID 80698405
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
N-(2-butoxyethyl)-3-chloro-2-methylaniline
CID 61482959
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylamino)benzenesulfonamide?
The IUPAC name of 2-(2-butoxyethylamino)benzenesulfonamide (CID 61169915) is 2-(2-butoxyethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2-butoxyethylamino)benzenesulfonamide?
The canonical SMILES for 2-(2-butoxyethylamino)benzenesulfonamide is CCCCOCCNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-butoxyethylamino)benzenesulfonamide?
The InChIKey is VVSDILXAWCLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-3-9-17-10-8-14-11-6-4-5-7-12(11)18(13,15)16/h4-7,14H,2-3,8-10H2,1H3,(H2,13,15,16).
What are the key properties of 2-(2-butoxyethylamino)benzenesulfonamide?
2-(2-butoxyethylamino)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 61169915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).