2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide

C20H25ClN2O3S — CID 78843267

IUPAC2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C(C)C
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)23(15(3)4)20(24)18-13-17(11-12-19(18)21)27(25,26)22(5)16-9-7-6-8-10-16/h6-15H,1-5H3
InChIKeyDOGNVMAYJZJBKM-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.42
Rot. Bonds6

About 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide

2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 78843267) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
PubChem CID78843267
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C(C)C
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)23(15(3)4)20(24)18-13-17(11-12-19(18)21)27(25,26)22(5)16-9-7-6-8-10-16/h6-15H,1-5H3
InChIKeyDOGNVMAYJZJBKM-UHFFFAOYSA-N
XLogP4.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78888779
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577281
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577290
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810
4-chloro-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2334711
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577371
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 41013446
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide (CID 78843267) is 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is DOGNVMAYJZJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-14(2)23(15(3)4)20(24)18-13-17(11-12-19(18)21)27(25,26)22(5)16-9-7-6-8-10-16/h6-15H,1-5H3.
What are the key properties of 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide?
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 408.95 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 78843267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).