N-[4-(butylamino)phenyl]ethanesulfonamide

C12H20N2O2S — CID 54866263

IUPACN-[4-(butylamino)phenyl]ethanesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-5-10-13-11-6-8-12(9-7-11)14-17(15,16)4-2/h6-9,13-14H,3-5,10H2,1-2H3
InChIKeyBZMMDXZNBMKTBO-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.66
Rot. Bonds7

About N-[4-(butylamino)phenyl]ethanesulfonamide

N-[4-(butylamino)phenyl]ethanesulfonamide (PubChem CID 54866263) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]ethanesulfonamide
PubChem CID54866263
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[4-(butylamino)phenyl]ethanesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-5-10-13-11-6-8-12(9-7-11)14-17(15,16)4-2/h6-9,13-14H,3-5,10H2,1-2H3
InChIKeyBZMMDXZNBMKTBO-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
N-butyl-4-propylsulfonylaniline
CID 43453437
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
CID 112980149
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
CID 63945935
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(butylamino)phenyl]ethanesulfonamide (CID 54866263) is N-[4-(butylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(butylamino)phenyl]ethanesulfonamide is CCCCNc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]ethanesulfonamide?
The InChIKey is BZMMDXZNBMKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-5-10-13-11-6-8-12(9-7-11)14-17(15,16)4-2/h6-9,13-14H,3-5,10H2,1-2H3.
What are the key properties of N-[4-(butylamino)phenyl]ethanesulfonamide?
N-[4-(butylamino)phenyl]ethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 54866263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).