N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C18H20N2O3S — CID 4209618

IUPACN-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H20N2O3S/c1-12-3-4-13(2)17(11-12)24(22,23)20-16-7-5-14(6-8-16)18(21)19-15-9-10-15/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyNCPPOVHNKZGGQS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.00
Rot. Bonds5

About N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 4209618) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID4209618
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H20N2O3S/c1-12-3-4-13(2)17(11-12)24(22,23)20-16-7-5-14(6-8-16)18(21)19-15-9-10-15/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyNCPPOVHNKZGGQS-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386321
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 24530569
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 4209618) is N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is NCPPOVHNKZGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-3-4-13(2)17(11-12)24(22,23)20-16-7-5-14(6-8-16)18(21)19-15-9-10-15/h3-8,11,15,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4209618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).