4-(benzenesulfonyl)-N-ethylaniline

C14H15NO2S — CID 10849008

IUPAC4-(benzenesulfonyl)-N-ethylaniline
SMILESCCNc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-15-12-8-10-14(11-9-12)18(16,17)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3
InChIKeyLFOMHIPSCFZPQS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.95
Rot. Bonds4

About 4-(benzenesulfonyl)-N-ethylaniline

4-(benzenesulfonyl)-N-ethylaniline (PubChem CID 10849008) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-ethylaniline.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-ethylaniline
PubChem CID10849008
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-(benzenesulfonyl)-N-ethylaniline
SMILESCCNc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-15-12-8-10-14(11-9-12)18(16,17)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3
InChIKeyLFOMHIPSCFZPQS-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-prop-2-ynylaniline
CID 10849733
bis(N-ethylaniline);sulfuric acid
CID 172710683
bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236
4-(benzenesulfonyl)-N-bromoaniline
CID 157285083
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-[4-(benzenesulfonyl)anilino]butanoic acid
CID 90075907
magnesium;N-ethylaniline;dibromide
CID 175384218
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
N-ethylaniline;formamide
CID 174905180
N-ethylaniline;propanedioic acid
CID 67742199

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-ethylaniline?
The IUPAC name of 4-(benzenesulfonyl)-N-ethylaniline (CID 10849008) is 4-(benzenesulfonyl)-N-ethylaniline.
What is the SMILES notation for 4-(benzenesulfonyl)-N-ethylaniline?
The canonical SMILES for 4-(benzenesulfonyl)-N-ethylaniline is CCNc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-ethylaniline?
The InChIKey is LFOMHIPSCFZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-15-12-8-10-14(11-9-12)18(16,17)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-ethylaniline?
4-(benzenesulfonyl)-N-ethylaniline has a molecular weight of 261.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-ethylaniline is sourced from PubChem (CID 10849008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).