2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide

C19H24ClN3O5S2 — CID 30839055

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C19H24ClN3O5S2/c1-13(2)22-29(25,26)15-7-5-6-14(10-15)12-21-19(24)17-11-16(8-9-18(17)20)30(27,28)23(3)4/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyHCBZJWDNMRPYFF-UHFFFAOYSA-N
MW474.00 g/mol
LogP2.21
Rot. Bonds8

About 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 30839055) has the molecular formula C19H24ClN3O5S2 and a molecular weight of 474.00 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
PubChem CID30839055
Molecular FormulaC19H24ClN3O5S2
Molecular Weight474.00 g/mol
Exact Mass473.08
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C19H24ClN3O5S2/c1-13(2)22-29(25,26)15-7-5-6-14(10-15)12-21-19(24)17-11-16(8-9-18(17)20)30(27,28)23(3)4/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyHCBZJWDNMRPYFF-UHFFFAOYSA-N
XLogP2.21
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371
2-amino-5-chloro-N-[[3-(dimethylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide;hydrochloride
CID 66877100
2-chloro-N-[(2-phenylmethoxyphenyl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
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N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide (CID 30839055) is 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is HCBZJWDNMRPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S2/c1-13(2)22-29(25,26)15-7-5-6-14(10-15)12-21-19(24)17-11-16(8-9-18(17)20)30(27,28)23(3)4/h5-11,13,22H,12H2,1-4H3,(H,21,24).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 474.00 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30839055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).