N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide

C13H18N2O4S — CID 115877855

IUPACN-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-3-6-15(7-8-16)13(17)11-9-10(2)4-5-12(11)20(14,18)19/h3-5,9,16H,1,6-8H2,2H3,(H2,14,18,19)
InChIKeyCXTMZQRDOUJMCV-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.26
Rot. Bonds6

About N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide

N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide (PubChem CID 115877855) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
PubChem CID115877855
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-3-6-15(7-8-16)13(17)11-9-10(2)4-5-12(11)20(14,18)19/h3-5,9,16H,1,6-8H2,2H3,(H2,14,18,19)
InChIKeyCXTMZQRDOUJMCV-UHFFFAOYSA-N
XLogP0.26
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
CID 65454692
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2-fluoro-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 115754678
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
CID 65455448
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide (CID 115877855) is N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide is C=CCN(CCO)C(=O)c1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide?
The InChIKey is CXTMZQRDOUJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-6-15(7-8-16)13(17)11-9-10(2)4-5-12(11)20(14,18)19/h3-5,9,16H,1,6-8H2,2H3,(H2,14,18,19).
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide?
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide is sourced from PubChem (CID 115877855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).