5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

C18H23ClN2O4S2 — CID 34050535

IUPAC5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C18H23ClN2O4S2/c1-13(2)21-26(22,23)12-16-7-5-4-6-15(16)11-20-27(24,25)18-10-17(19)9-8-14(18)3/h4-10,13,20-21H,11-12H2,1-3H3
InChIKeyRAOXQDDVYCAYCL-UHFFFAOYSA-N
MW430.98 g/mol
LogP2.95
Rot. Bonds8

About 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 34050535) has the molecular formula C18H23ClN2O4S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID34050535
Molecular FormulaC18H23ClN2O4S2
Molecular Weight430.98 g/mol
Exact Mass430.08
IUPAC Name5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C18H23ClN2O4S2/c1-13(2)21-26(22,23)12-16-7-5-4-6-15(16)11-20-27(24,25)18-10-17(19)9-8-14(18)3/h4-10,13,20-21H,11-12H2,1-3H3
InChIKeyRAOXQDDVYCAYCL-UHFFFAOYSA-N
XLogP2.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24556301
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 17416351
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 5017965

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (CID 34050535) is 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)NC(C)C.
What is the InChIKey of 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RAOXQDDVYCAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4S2/c1-13(2)21-26(22,23)12-16-7-5-4-6-15(16)11-20-27(24,25)18-10-17(19)9-8-14(18)3/h4-10,13,20-21H,11-12H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 430.98 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 34050535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).