5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide

C12H18ClN3O3S — CID 62169913

IUPAC5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-2-5-15-11-4-3-9(13)8-10(11)12(17)16-6-7-20(14,18)19/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyFDNFTDVKFUXQCX-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.18
Rot. Bonds7

About 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide

5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide (PubChem CID 62169913) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
PubChem CID62169913
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-2-5-15-11-4-3-9(13)8-10(11)12(17)16-6-7-20(14,18)19/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyFDNFTDVKFUXQCX-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
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5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
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5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
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5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
CID 106098354
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide (CID 62169913) is 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide?
The InChIKey is FDNFTDVKFUXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-5-15-11-4-3-9(13)8-10(11)12(17)16-6-7-20(14,18)19/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide?
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide has a molecular weight of 319.81 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 62169913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).