3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide

C17H23ClN2O3S — CID 30878670

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H23ClN2O3S/c1-6-10-20(11-7-2)16(21)13-8-9-14(18)15(12-13)24(22,23)19-17(3,4)5/h6-9,12,19H,1-2,10-11H2,3-5H3
InChIKeyGYYMHIYNFOCRPB-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.23
Rot. Bonds7

About 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide (PubChem CID 30878670) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
PubChem CID30878670
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H23ClN2O3S/c1-6-10-20(11-7-2)16(21)13-8-9-14(18)15(12-13)24(22,23)19-17(3,4)5/h6-9,12,19H,1-2,10-11H2,3-5H3
InChIKeyGYYMHIYNFOCRPB-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.23
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

ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
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3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
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CID 78856600
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
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CID 87043611
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CID 35425596
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CID 103222178
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide (CID 30878670) is 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is GYYMHIYNFOCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-6-10-20(11-7-2)16(21)13-8-9-14(18)15(12-13)24(22,23)19-17(3,4)5/h6-9,12,19H,1-2,10-11H2,3-5H3.
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 370.90 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 30878670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).