N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide

C18H20ClN3O3S — CID 55763086

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H20ClN3O3S/c1-22(2)17-15(19)7-4-8-16(17)20-18(23)12-5-3-6-14(11-12)26(24,25)21-13-9-10-13/h3-8,11,13,21H,9-10H2,1-2H3,(H,20,23)
InChIKeyZBLSTYLAWYISKE-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.10
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide

N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 55763086) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID55763086
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H20ClN3O3S/c1-22(2)17-15(19)7-4-8-16(17)20-18(23)12-5-3-6-14(11-12)26(24,25)21-13-9-10-13/h3-8,11,13,21H,9-10H2,1-2H3,(H,20,23)
InChIKeyZBLSTYLAWYISKE-UHFFFAOYSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 35355750
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
S-[4-[[3-(cyclopropylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529932
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide (CID 55763086) is N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide is CN(C)c1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is ZBLSTYLAWYISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-22(2)17-15(19)7-4-8-16(17)20-18(23)12-5-3-6-14(11-12)26(24,25)21-13-9-10-13/h3-8,11,13,21H,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 393.90 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55763086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).