N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide

C14H21NO3S — CID 11608901

IUPACN-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESC/C=C\CN(CCCO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-3-4-10-15(11-5-12-16)19(17,18)14-8-6-13(2)7-9-14/h3-4,6-9,16H,5,10-12H2,1-2H3/b4-3-
InChIKeyJXNNHQPNGAABKF-ARJAWSKDSA-N
MW283.39 g/mol
LogP1.94
Rot. Bonds7

About N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide

N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide (PubChem CID 11608901) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
PubChem CID11608901
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESC/C=C\CN(CCCO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO3S/c1-3-4-10-15(11-5-12-16)19(17,18)14-8-6-13(2)7-9-14/h3-4,6-9,16H,5,10-12H2,1-2H3/b4-3-
InChIKeyJXNNHQPNGAABKF-ARJAWSKDSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
CID 101256221
2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
CID 142683254
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-(3-hydroxypropyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146526103
N-[(E)-but-2-enyl]-N-[4-(4-chlorophenyl)-4-hydroxybut-2-ynyl]-4-methylbenzenesulfonamide
CID 102160955
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-[(E)-4-bromobut-2-enyl]-4-methyl-N-(3-oxo-3-phenylpropyl)benzenesulfonamide
CID 71527527

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide (CID 11608901) is N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide is C/C=C\CN(CCCO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is JXNNHQPNGAABKF-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-10-15(11-5-12-16)19(17,18)14-8-6-13(2)7-9-14/h3-4,6-9,16H,5,10-12H2,1-2H3/b4-3-.
What are the key properties of N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide?
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11608901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).