3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide

C14H19ClN2O3S — CID 79555715

IUPAC3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide
SMILESCC(CCl)CS(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10(8-15)9-21(19,20)17-13-4-2-3-11(7-13)14(18)16-12-5-6-12/h2-4,7,10,12,17H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyIWKGEWKYPLXOHW-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.20
Rot. Bonds7

About 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide

3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide (PubChem CID 79555715) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide
PubChem CID79555715
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide
SMILESCC(CCl)CS(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10(8-15)9-21(19,20)17-13-4-2-3-11(7-13)14(18)16-12-5-6-12/h2-4,7,10,12,17H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyIWKGEWKYPLXOHW-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
3-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 106913546
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-(3-butan-2-yloxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585080
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide (CID 79555715) is 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide is CC(CCl)CS(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide?
The InChIKey is IWKGEWKYPLXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10(8-15)9-21(19,20)17-13-4-2-3-11(7-13)14(18)16-12-5-6-12/h2-4,7,10,12,17H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide?
3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylpropyl)sulfonylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 79555715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).