3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride

C20H26ClN3O3S — CID 119440447

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-2-21-14-17-6-3-4-9-19(17)23-20(24)16-7-5-8-18(12-16)27(25,26)22-13-15-10-11-15;/h3-9,12,15,21-22H,2,10-11,13-14H2,1H3,(H,23,24);1H
InChIKeyKTMAIVANNBMLCD-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.16
Rot. Bonds9

About 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride

3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride (PubChem CID 119440447) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
PubChem CID119440447
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-2-21-14-17-6-3-4-9-19(17)23-20(24)16-7-5-8-18(12-16)27(25,26)22-13-15-10-11-15;/h3-9,12,15,21-22H,2,10-11,13-14H2,1H3,(H,23,24);1H
InChIKeyKTMAIVANNBMLCD-UHFFFAOYSA-N
XLogP3.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119439947
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride (CID 119440447) is 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The InChIKey is KTMAIVANNBMLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-2-21-14-17-6-3-4-9-19(17)23-20(24)16-7-5-8-18(12-16)27(25,26)22-13-15-10-11-15;/h3-9,12,15,21-22H,2,10-11,13-14H2,1H3,(H,23,24);1H.
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119440447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).