(NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide

C13H19NO2S — CID 135071940

IUPAC(NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide
SMILESCCC/C=N/S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2S/c1-4-5-10-14-17(15,16)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3/b14-10+
InChIKeyRXXFSYCSPSGQRR-GXDHUFHOSA-N
MW253.37 g/mol
LogP3.37
Rot. Bonds5

About (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide

(NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide (PubChem CID 135071940) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide
PubChem CID135071940
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide
SMILESCCC/C=N/S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2S/c1-4-5-10-14-17(15,16)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3/b14-10+
InChIKeyRXXFSYCSPSGQRR-GXDHUFHOSA-N
XLogP3.37
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
3-(4-propan-2-ylphenyl)sulfonyl-N-propylbutan-2-amine
CID 64638782
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide
CID 23599394
4-(4-propan-2-ylphenyl)sulfonylbutanenitrile
CID 64692191
N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
CID 64639394
1-(diazomethylsulfonyl)-4-propan-2-ylbenzene
CID 151550142
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 52623294

Frequently Asked Questions

What is the IUPAC name of (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide (CID 135071940) is (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide is CCC/C=N/S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RXXFSYCSPSGQRR-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-5-10-14-17(15,16)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3/b14-10+.
What are the key properties of (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide?
(NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-butylidene-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 135071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).