N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide

C12H17NO4S — CID 115622115

IUPACN-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO4S/c1-3-8-13(9-10-14)18(15,16)12-6-4-11(17-2)5-7-12/h3-7,14H,1,8-10H2,2H3
InChIKeyPCSWDADWXUMQSF-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.86
Rot. Bonds7

About N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide

N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 115622115) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID115622115
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO4S/c1-3-8-13(9-10-14)18(15,16)12-6-4-11(17-2)5-7-12/h3-7,14H,1,8-10H2,2H3
InChIKeyPCSWDADWXUMQSF-UHFFFAOYSA-N
XLogP0.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
CID 115754601
3-chloro-N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754667
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
CID 32510686
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17418244
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate
CID 115754700
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide (CID 115622115) is N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCN(CCO)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is PCSWDADWXUMQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-8-13(9-10-14)18(15,16)12-6-4-11(17-2)5-7-12/h3-7,14H,1,8-10H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide?
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 115622115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).