2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide

C10H9Cl3N2O3S — CID 65375569

IUPAC2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)NC2CC2)c1Cl
InChIInChI=1S/C10H9Cl3N2O3S/c11-5-3-6(19(14,17)18)9(13)7(8(5)12)10(16)15-4-1-2-4/h3-4H,1-2H2,(H,15,16)(H2,14,17,18)
InChIKeyUDIVUINLKCTSDT-UHFFFAOYSA-N
MW343.62 g/mol
LogP2.19
Rot. Bonds3

About 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide

2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide (PubChem CID 65375569) has the molecular formula C10H9Cl3N2O3S and a molecular weight of 343.62 g/mol. Its IUPAC name is 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide
PubChem CID65375569
Molecular FormulaC10H9Cl3N2O3S
Molecular Weight343.62 g/mol
Exact Mass341.94
IUPAC Name2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)NC2CC2)c1Cl
InChIInChI=1S/C10H9Cl3N2O3S/c11-5-3-6(19(14,17)18)9(13)7(8(5)12)10(16)15-4-1-2-4/h3-4H,1-2H2,(H,15,16)(H2,14,17,18)
InChIKeyUDIVUINLKCTSDT-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
2,6-dichloro-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551555
2,3,6-trichloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 65374079
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
CID 126508892
2,4-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65366806
N-cyclopropyl-2,4,6-trimethyl-3-sulfamoylbenzamide
CID 65373441
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114551487
butan-2-yl 2,3,6-trichloro-5-sulfamoylbenzoate
CID 65381824

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide?
The IUPAC name of 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide (CID 65375569) is 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide?
The canonical SMILES for 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)NC2CC2)c1Cl.
What is the InChIKey of 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide?
The InChIKey is UDIVUINLKCTSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O3S/c11-5-3-6(19(14,17)18)9(13)7(8(5)12)10(16)15-4-1-2-4/h3-4H,1-2H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide?
2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide has a molecular weight of 343.62 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).